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Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside | CAS No. 102130-43-8

Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside

Basic Information

Chemical_Structure_Of
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CAS Number

102130-43-8

Molecular Formula

C30H44K2O16S2

Molecular Weight

802.99 g/mol

AD

Basic Physical Properties

Physical State

Powder

Solubility

H2O: 20 mg/mL

SMILES

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OC[C@H]1O[C@@H](O[C@@H]2CC(C(=O)[O-])[C@@H]3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@@H]1OS(=O)(=O)[O-])OS(=O)(=O)O)OC(=O)CC(C)C.[K+].[K+]

InChI

InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28+,29-,30-;;/m1../s1

InChIKey

IUCNQFHEWLYECJ-VCQILIGCSA-L

LogP

3.14340

Complexity

1440

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H311 Toxic in contact with skin
Acute toxicity, dermal
H331 Toxic if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1(a) Class 6.1(a)

Storage Conditions

2-8℃

Synonyms & References

English

  • Atractyloside potassium salt
  • 19-Norkaur-16-en-18-oicacid, 15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-b-D-glucopyranosyl]oxy]-,dipotassium sal
  • Atractyloside (potassium salt)
  • (2beta,15alpha)-15-Hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid dipotassium salt
  • ATR, 2K
  • ATRACTYLOSIDE, DIPOTASSIUM SALT
  • ATRACTYLOSIDE, DIPOTASSIUM SALT, ATRACTYLIS GUMMIFERA
  • 19-Norkaur-16-en-18-oic acid deriv. 1H-2,10a-Ethanophenanthrene
  • (2β,15α)-15-Hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-β-D-glucopyranosyl]oxy]-19-Norkaur-16-en-18-oic Acid Dipotassium Salt
  • 19-Norkaur-16-en-18-oicacid, 15-hydroxy-2-[[2-O-(3-Methyl-1-oxobutyl)-3,4-di-O-sulfo-b-D-glucopyranosyl]oxy]-,dipotassiuM salt, (2b,15a)- (9CI)
  • 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-.beta.-D-glucopyranosyloxy-, dipotassium salt, (2.beta.,15.alpha.)-
  • Atractyloside dipotassium salt, >=98%
  • Atractyloside potassium salt
  • atractyloside
  • ATRACTYLOSIDE POTASSIUM
  • Prestwick_47
  • SPECTRUM1502117
  • and adenosine nucleotide transfer
  • HMS501D16
  • HMS1570C16

MDL Number

MFCD00078810

FAQ

What are the physical and chemical properties of Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside (CAS: 102130-43-8)?
Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside is a crystalline compound with a high molecular weight. It is soluble in water and organic solvents. This compound exhibits moderate reactivity with carboxylic acids and can undergo esterification reactions. It is stable under normal conditions but should be stored away from moisture and heat to prevent degradation.

How is Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside (CAS: 102130-43-8) typically synthesized?
Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside is typically synthesized through a multi-step process involving esterification and sulfonation reactions. Key steps include the formation of the 15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl ester, followed by sulfonation and the addition of the 3-methylbutanoyl group. The reaction is conducted under mild acidic or basic conditions, with careful control of temperature and pH to achieve high yield and selectivity.

What industries use Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside (CAS: 102130-43-8)?
Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside is primarily used in the pharmaceutical industry for its potential as a chelating agent and for its reactivity with carboxylic acids. It may also have applications in the development of new drug delivery systems and as a component in biosensors. Further applications in the polymer and semiconductor industries are under investigation, but more research is needed to confirm these uses.

What precautions should be taken when handling Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside (CAS: 102130-43-8)?
When handling Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or fume hood. Spills should be carefully cleaned up with appropriate absorbents, and the area should be thoroughly rinsed. Ensure that the substance is stored in a cool, dry place, away from moisture and heat. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage information.

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Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside — MedChemExpress LLC

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CAS Number: 102130-43-8

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Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside — BOC Sciences

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Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside — Chengdu Zhu Mo Technology Co., Ltd.

Chengdu Zhu Mo Technology Co., Ltd.

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Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside — ShangHai PoDianDing Standard Technical Service Co., Ltd.

ShangHai PoDianDing Standard Technical Service Co., Ltd.

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SiChuanWeiKeJi Biotechnology Co Ltd

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Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside — Chengdu Sodium Lithium Biotechnology Co., Ltd.

Chengdu Sodium Lithium Biotechnology Co., Ltd.

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