Card-20(22)-enolide, 3-((6-deoxy-beta-D-allopyranosyl)oxy)-5,14-dihydroxy-, (3-beta,5-beta)-

Substructure search Find similar structures

Basic information

CAS: 3981-14-4
Standard SMILES: CC1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)C(O)C(O)[C@@H]1O
InChIKey: RAWRNCRYFFPACC-DETBBISXSA-N
Molecular formula: C29H44O9
Average molar mass: 536.7 g/mol
Monoisotopic mass: 536.29853298

Names & identifiers

Preferred name: Card-20(22)-enolide, 3-((6-deoxy-beta-D-allopyranosyl)oxy)-5,14-dihydroxy-, (3-beta,5-beta)-
IUPAC: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Names & synonyms

Peripalloside(3-beta,5-beta)-3-((6-Deoxy-beta-D-allopyranosyl)oxy)-5,14-dihydroxycard-20(22)-enolideCard-20(22)-enolide, 3-((6-deoxy-beta-D-allopyranosyl)oxy)-5,14-dihydroxy-, (3-beta,5-beta)-3981-14-4RefChem:333575DTXSID009603723-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide(8xi,9xi)-3beta-[(6-Deoxy-beta-D-glycero-hexopyranosyl)oxy]-5,14-dihydroxy-5beta-card-20(22)-enolide

Database identifiers

CAS: 3981-14-4
PubChem CID: 19880
DTXSID: DTXSID00960372

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 146 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 9
Rotatable bonds: 3
Heavy atoms: 38
Formal charge: 0
Complexity: 1,000

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…