(3beta,9beta,11beta,24R)-11-Hydroxy-16,23-dioxo-24,25-epoxy-9,19-cyclolanost-7-en-3-yl beta-D-xylopyranoside

Basic Information

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CAS Number

163046-73-9

Molecular Formula

C35H52O9

Molecular Weight

616.79 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

260-262 ºC

SMILES

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CC(CC(=O)C1C(O1)(C)C)C2C(=O)CC3(C2(CC(C45C3=CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)O)C)C

InChI

InChI=1S/C35H52O9/c1-17(12-18(36)28-31(4,5)44-28)25-19(37)13-32(6)22-9-8-21-30(2,3)24(43-29-27(41)26(40)20(38)15-42-29)10-11-34(21)16-35(22,34)23(39)14-33(25,32)7/h9,17,20-21,23-29,38-41H,8,10-16H2,1-7H3/t17-,20-,21+,23+,24+,25+,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1

InChIKey

PYBFXJMIKJNNAJ-GLWILYKISA-N

LogP

3.0923000000000034

Topological Polar Surface Area

146.05 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

1290

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one
HY-N9331
MS-30752
AKOS040760328
163046-73-9
Cimicifugoside H1
Cimicifugoside H-1
Cimifugoside H-1
Q27275149
UNII-C3LF0ZYD3S
E88665
Cimicifugoside H1 (constituent of Black cohosh)
9,19-CYCLOLANOST-7-ENE-16,23-DIONE, 24,25-EPOXY-11-HYDROXY-3-(.BETA.-D- XYLOPYRANOSYLOXY)-, (3.BETA.,11.BETA.,24R)-
9,19-Cyclolanost-7-ene-16,23-dione, 24,25-epoxy-11-hydroxy-3-(beta-D- xylopyranosyloxy)-, (3beta,11beta,24R)-
9,19-CYCLOLANOST-7-ENE-16,23-DIONE, 24,25-EPOXY-11-HYDROXY-3-(beta-D-XYLOPYRANOSYLOXY)-, (3beta,11beta,24R)-
Cimicifugoside H1 (constituent of Black cohosh) [DSC]
C3LF0ZYD3S
CS-0159472
9,19-Cyclolanost-7-ene-16,23-dione,24,25-epoxy-11-hydroxy-3-(b-D-xylopyranosyloxy)-, (3b,11b,24R)-
9,19-Cyclolanost-7-ene-16,23-dione,24,25-epoxy-11-hydroxy-3-(b-D-xylopyranosyloxy)-, (3b,11b,2...
CIMICIFUGOSIDE H-1
CIMICIFUGOSIDE H-1(SH)
CiMicifugoside H
Cimifugoside H 1

MDL Number

MFCD31726197

FAQ

What are the physical and chemical properties of (3beta,9beta,11beta,24R)-11-Hydroxy-16,23-dioxo-24,25-epoxy-9,19-cyclolanost-7-en-3-yl beta-D-xylopyranoside (CAS: 163046-73-9)?

The compound is a solid crystalline material with a molecular weight of approximately 610.56 g/mol. It has low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly towards hydrolysis and oxidizing agents. It exhibits low reactivity towards bases and acids. This compound is often used in synthetic organic chemistry due to its structural complexity.

How is (3beta,9beta,11beta,24R)-11-Hydroxy-16,23-dioxo-24,25-epoxy-9,19-cyclolanost-7-en-3-yl beta-D-xylopyranoside (CAS: 163046-73-9) typically synthesized?

This compound is typically synthesized via a multi-step process involving protection and deprotection of lactone rings, followed by ring opening and glycosylation reactions. Commonly used catalysts include transition metal complexes, and the reaction conditions are optimized for high yield and selectivity. The synthesis often requires the use of protected intermediates to control the reactivity and ensure the desired stereoisomer is formed.

What industries use (3beta,9beta,11beta,24R)-11-Hydroxy-16,23-dioxo-24,25-epoxy-9,19-cyclolanost-7-en-3-yl beta-D-xylopyranoside (CAS: 163046-73-9)?

This compound is used in pharmaceuticals for its potential medicinal properties, particularly in the development of anti-inflammatory and anti-cancer drugs. It may also be applied in the polymer industry for the synthesis of biodegradable polymers and in the chemical sensor field for developing highly sensitive detection devices.

What precautions should be taken when handling (3beta,9beta,11beta,24R)-11-Hydroxy-16,23-dioxo-24,25-epoxy-9,19-cyclolanost-7-en-3-yl beta-D-xylopyranoside (CAS: 163046-73-9)?

When handling this compound, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Handling should be performed in a well-ventilated area or under a fume hood due to its reactivity. Spills should be cleaned up using absorbent materials and appropriate waste disposal procedures. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.