4-[(3S,5S,10R,13R,14S,17S)-5,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one

Basic Information

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CAS Number

32476-67-8

Molecular Formula

C30H46O8

Molecular Weight

534.69 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 Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

148°

Solubility

,DMSO、Methanol、Acetontrile、Water

Specific Rotation

D27 +29° (c = 0.94 in 95% alcohol for the anhydr substance)

SMILES

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CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)O[C@H](C)[C@H]1O

InChI

InChI=1S/C30H46O8/c1-17-26(32)23(35-4)14-25(37-17)38-19-5-9-27(2)21-6-10-28(3)20(18-13-24(31)36-16-18)8-12-30(28,34)22(21)7-11-29(27,33)15-19/h13,17,19-23,25-26,32-34H,5-12,14-16H2,1-4H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28-,29+,30+/m1/s1

InChIKey

XRWQBDJPMXRDOQ-YUUDFPFBSA-N

LogP

3.254300000000002

Topological Polar Surface Area

114.68000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

983

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-b-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-, (3b,5b)- (9CI)
4-[(3S,5S,10R,13R,14S,17S)-5,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-on
DG0043
Periplocymarin
(+)-Periplocymarin

MDL Number

MFCD01740198

FAQ

What are the physical and chemical properties of 4-[(3S,5S,10R,13R,14S,17S)-5,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one (CAS: 32476-67-8)?

This compound is a crystalline solid with a molecular weight of approximately 984.3 g/mol. It has a low solubility in water but is more soluble in organic solvents such as dimethyl sulfoxide (DMSO). Chemically, it is reactive towards nucleophiles and can undergo hydrolysis. It is not flammable but requires caution due to potential reactivity.

How is 4-[(3S,5S,10R,13R,14S,17S)-5,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one (CAS: 32476-67-8) typically synthesized?

This compound is synthesized via a multi-step process involving palladium-catalyzed coupling reactions and ring closure. The synthesis typically yields a product with high selectivity and good purity.

What industries use 4-[(3S,5S,10R,13R,14S,17S)-5,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one (CAS: 32476-67-8)?

This compound is used in the pharmaceutical industry for its potential as a bioactive molecule. It may also have applications in the polymer and sensor industries due to its unique chemical properties.

What precautions should be taken when handling 4-[(3S,5S,10R,13R,14S,17S)-5,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one (CAS: 32476-67-8)?

Handle this compound in a well-ventilated fume hood and wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Avoid contact with skin and eyes. In case of spill, use standard spill cleanup procedures and consult the Safety Data Sheet (SDS) for detailed instructions.