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(3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate | CAS No. 143-57-7

(3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate

Basic Information

Chemical_Structure_Of
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CAS Number

143-57-7

Molecular Formula

C41H63NO14

Molecular Weight

793.95 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Surfactants Anionic Surfactants
Polymers and Plastics Thermoplastics Polyolefins
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

270-271 ºC (dec.)

Boiling Point

747.91°C (rough estimate)

Solubility

Insuluble (2.9E-3 g/L) (25 ºC),

Refractive Index

1.6220 (estimate)

Specific Rotation

D25 -40.5° (pyridine); D25 -10.5° (chloroform)

SMILES

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CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O

InChI

InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1

InChIKey

HYTGGNIMZXFORS-MGYKWWNKSA-N

LogP

1.6072000000000033

Topological Polar Surface Area

218.81999999999996 Ų

Hydrogen Bond Donor/Acceptor

5 / 15

Complexity

1630

Safety Information

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Hazard Class

Class 6.1(a) Class 6.1(a)

Toxicity

LD50 s.c. in male mice: 0.29 mg/kg (Tanaka)

Synonyms & References

English

  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(S),4alpha,6alpha,7alpha,15alpha(R),16beta)-
  • Puroverine
  • NSC 7526
  • 4-21-00-06845 (Beilstein Handbook Reference)
  • UNII-XP343X1HJU
  • Protofecaterine A
  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3.beta.(S),4.alpha.,6.alpha.,7.alpha.,15.alpha.(R),16.beta.)-
  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(S),4alpha,6alpha,7alpha,15alpha(R),16beta)- (9CI)
  • Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2S)-2-hydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)-
  • DTXSID301009391
  • NSC-23865
  • Proveratrine A
  • NSC 23865
  • bmse000853
  • Cevane-3.beta.,6.alpha.,7.alpha.,14,15.alpha.,16.beta.,20-octol, 4,9-epoxy-, 6,7-diacetate 3-((+)-2-hydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)
  • Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-,6,7-diacetate 3-[(2S)-2-hydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate],(3b,4a,6a,7a,15a,16b)-
  • (3beta(S),4alpha,6alpha,7alpha,15alpha(R),16beta)-4,9-Epoxycevane-3,4,6,7,14,15,16,20-octol 6,7-diacetate 3-(2-hydroxy-2-methylbutyrate) 15-(2-methylbutyrate)
  • 143-57-7
  • NSC-7526
  • PROTOVERATRINE A [MI]
  • (3.BETA.(S),4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.(R),16.BETA.)-4,9-EPOXYCEVANE-3,4,6,7,14,15,16,20-OCTOL 6,7-DIACETATE 3-(2-HYDROXY-2-METHYLBUTANOATE) 15-(2-METHYLBUTANOATE)
  • Protalba
  • Cevane-3beta,4beta,6alpha,7alpha,14,15alpha,16beta,20-octol, 4,9-epoxy-, 6,7-diacetate 3-((+)-2-hydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)
  • NS00008506
  • PROTOVERATRINE A [WHO-DD]
  • protoveratrine A
  • MFCD00135586
  • [diacetoxy-tetrahydroxy-trimethyl-[(2R)-2-methylbutanoyl]oxy-[?]yl] (2S)-2-hydroxy-2-methyl-butanoate
  • CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 3-((2S)-2-HYDROXY-2-METHYLBUTANOATE) 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-
  • PROTOVERINE 3-((+)-(2S)-2-HYDROXY-2-METHYLBUTYRATE) 6,7-DIACETATE 15-((-)-(2R)-2-METHYLBUTYRATE)
  • Protoveratrine

MDL Number

MFCD00135586

FAQ

What regulatory guidelines apply to (3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate (CAS: 143-57-7)?
The compound (3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate (CAS: 143-57-7) is subject to the REACH regulation in the European Union, which requires registration, evaluation, authorization, and restriction of chemicals. It also falls under the GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for classification and labeling. FDA and EPA regulations may apply for specific uses, such as in pharmaceuticals or environmental applications.

Are there alternatives to (3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate (CAS: 143-57-7) in synthesis?
There are several alternatives in synthesis that can be considered as substitutes for (3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate (CAS: 143-57-7). These include other diacetoxycalycanthins or similar compounds, which may offer similar or different functionalities depending on the specific application requirements.

What is the market or research trend for (3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate (CAS: 143-57-7)?
Research trends for (3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate (CAS: 143-57-7) are currently focused on its potential applications in natural product chemistry and pharmaceuticals. Market trends indicate increasing interest in its use as a precursor in biological assays and drug discovery due to its complex structure and biological activity.

How should waste containing (3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate (CAS: 143-57-7) be handled?
Waste containing (3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate (CAS: 143-57-7) should be collected and disposed of in accordance with local and national regulations. Proper waste handling includes ensuring the waste is stored in a secure container, and it should be incinerated or disposed of through professional waste disposal services that comply with environmental protection standards. Safety precautions should be taken to prevent exposure and contamination during handling.

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Supplier Information

BeiJingFuBo Biotechnology Co Ltd

CAS Number: 143-57-7

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(3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate — HePeng （ ShangHai ） Biotechnology Co Ltd

HePeng （ ShangHai ） Biotechnology Co Ltd

CAS Number: 143-57-7

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(3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate — NaJingQingYun Biotechnology Co Ltd

NaJingQingYun Biotechnology Co Ltd

CAS Number: 143-57-7

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Shanghai Yuansi Biotechnology Co., Ltd.

CAS Number: 143-57-7

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Chengdu LeMeiTian Medical Technology Co., Ltd.

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Hubei De Ao Hua Yan Yiyao Technology Co., Ltd.

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SiChuanShengWeiKeJi Biotechnology Co Ltd

CAS Number: 143-57-7

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SiChuanWeiKeJi Biotechnology Co Ltd

CAS Number: 143-57-7

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(3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate — NaJingPuYi Biotechnology Co Ltd

NaJingPuYi Biotechnology Co Ltd

CAS Number: 143-57-7

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ShangHaiZhenZhun Biotechnology Co Ltd

CAS Number: 143-57-7

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