Basic information
- CAS
514-37-4- Standard SMILES
COC1C(O)[C@H](O[C@@H]2CC[C@]3(C)C4C(O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@@H]3C2)OC(C)[C@@H]1O- InChIKey
SOPZOCCINHAAOP-QPRDUAHASA-N- Molecular formula
- C30H46O9
- Average molar mass
- 550.7 g/mol
- Monoisotopic mass
- 550.31418304
Names & identifiers
- Preferred name
- 11-epi-Sarnovid
- IUPAC
- 3-[(3R,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-11,14-dihydroxy-10,13-dimethyl-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
11-epi-Sarnovid11-epi-Sarnovid [German]5-beta-Card-20(22)-enolide, 3-alpha-((6-deoxy-3-O-methylgalactopyranosyl)oxy)-11,14-dihydroxy-514-37-4RefChem:236182DTXSID909657103-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide(8xi,9xi)-3alpha-[(6-Deoxy-3-O-methyl-alpha-L-glycero-hexopyranosyl)oxy]-11,14-dihydroxy-5beta-card-20(22)-enolide
Database identifiers
- CAS
514-37-4- PubChem CID
- 10573
- DTXSID
DTXSID90965710
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…