(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexaco sa-7,9,11-trien-19-yl 3-furoate

Basic Information

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CAS Number

37239-47-7

Molecular Formula

C41H47NO19

Molecular Weight

857.82 g/mol

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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

211 ºC

Solubility

Acetontrile,Chloroform,Methanol

SMILES

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C[C@H]1CCc2c(cccn2)C(=O)OC[C@]3([C@@H]4[C@H]([C@H]([C@@]5([C@H]([C@H]([C@@H]([C@]([C@]5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)c6ccoc6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C

InChI

InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19-,28+,29+,30-,31?,32-,33+,34-,38-,39-,40+,41-/m0/s1

InChIKey

QFIYSPKZWOALMZ-VESOVIEISA-N

LogP

1.7495000000000014

Topological Polar Surface Area

265.88999999999993 Å²

Hydrogen Bond Donor/Acceptor

1 / 20

Complexity

1790

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Wilforgine
8α-acetoxy-O2-(furan-3-carbonyl)-O2-deacetyl-8-deoxo-evonimine
AC1L3XRV
(8alpha)-8-(Acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)- evonimine Wilforgin
3-Furancarboxylic acid (8R,9R,10R,11S,12R,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,17,18,19,20-dodecahydro-21-hydroxy-8,18,21-trimethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridin-14-yl ester
Wilforgin
(8alpha)-8-(Acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)evonimine
CID 122198188
YI1TYV074E
Evonimine, 8-(acetyloxy)-O(sup 2)-deacetyl-8-deoxo-O(sup 2)-(3-furanylcarbonyl)-, (8-alpha)-
[tetraacetoxy-(acetoxymethyl)-hydroxy-trimethyl-dioxo-[?]yl] furan-3-carboxyla
Wilforgin,Evonimine,8-(acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)-, (8α)-

MDL Number

MFCD01726769

FAQ

What regulatory guidelines apply to (1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacos-7,9,11-trien-19-yl 3-furoate (CAS: 37239-47-7)?

This compound falls under various regulatory guidelines including REACH, which requires registration if manufactured or imported in quantities above 1 ton per year. GHS classification would also apply based on its properties. For detailed information on classification and labeling, refer to the GHS guidelines. In the USA, FDA and EPA regulations might also apply, particularly if it is used in pharmaceuticals or environmental applications.

Are there alternatives to (1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacos-7,9,11-trien-19-yl 3-furoate (CAS: 37239-47-7) in synthesis?

Alternative reagents and methods for synthesis might include simpler analogs such as 20,22-diacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacos-7,9,11-trien-19-yl 3-furoate. Isomers with fewer substituents or different functional groups can also be considered. However, the specific alternatives depend on the desired reaction outcome and the availability of reagents.

What is the market or research trend for (1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacos-7,9,11-trien-19-yl 3-furoate (CAS: 37239-47-7)?

Market trends for this compound are not widely reported due to its complexity and specialized nature. However, there is a growing interest in its use in advanced pharmaceutical and biological research. Recent research trends suggest a focus on its potential applications in drug discovery and development, particularly in areas such as cancer and neurodegenerative diseases. The demand is expected to increase with advancements in these fields.

How should waste containing (1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacos-7,9,11-trien-19-yl 3-furoate (CAS: 37239-47-7) be handled?

Waste containing this compound should be collected in a closed, spill-proof container and disposed of according to local regulations. Incineration is a common method for disposal, but it should be conducted in a professional hazardous waste incinerator. Environmental protection precautions include ensuring no release into the environment and proper handling to prevent exposure. Regulatory compliance is crucial, and it is recommended to consult with environmental protection agencies for specific guidance.