Basic information
- CAS
101470-86-4- Standard SMILES
COC1C(O)[C@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@H]3C2)OC(C)[C@@H]1O- InChIKey
PMTSPAGBAFCORP-SQAZWHIYSA-N- Molecular formula
- C30H44O9
- Average molar mass
- 548.7 g/mol
- Monoisotopic mass
- 548.29853298
Names & identifiers
- Preferred name
- 5-alpha-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methylgalactopyranosyl)oxy)-14-hydroxy-19-oxo-
- IUPAC
- (3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
101470-86-45-alpha-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methylgalactopyranosyl)oxy)-14-hydroxy-19-oxo-RefChem:1072600ChristyosideChristyosid [German]ChristyosidCorotoxigenin-beta-D-digitalosid [German]Corotoxigenin-beta-D-digitalosid
Database identifiers
- CAS
101470-86-4- PubChem CID
- 58387
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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