3,14,19-Trihydroxycard-20(22)-enolide

HCID 286248

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Basic information

CAS: 468-19-9
Standard SMILES: CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1
InChIKey: CDMVQQAHEQVSMF-UHFFFAOYSA-N
Molecular formula: C23H34O5
Average molar mass: 390.5 g/mol
Monoisotopic mass: 390.24062418

Overview

3,14,19-Trihydroxycard-20(22)-enolide has been reported in Coronilla scorpioides and Asclepias viridis with data available.

Names & identifiers

Preferred name: 3,14,19-Trihydroxycard-20(22)-enolide
IUPAC: 3-[3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Names & synonyms

3,14,19-trihydroxycard-20(22)-enolideDTXSID209636633-[3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one3-(3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-oneRefChem:269789DTXCID901391403NSC1441505.alpha.-Card-20(22)-enolide,14,19-trihydroxy-Card-20(22)-enolide,14,19-trihydroxy-, (3.beta.,5.alpha.)-

Database identifiers

CAS: 468-19-9
PubChem CID: 286248
DTXSID: DTXSID20963663

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 87 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 28
Formal charge: 0
Complexity: 703

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Compound notes

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