Basic information
- CAS
26931-65-7- Standard SMILES
CC1O[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)C(O)C(O)[C@@H]1O- InChIKey
QITDIWRKOXBKAM-CPNWJBISSA-N- Molecular formula
- C29H42O9
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.28288291
Overview
3-[(6-Deoxyhexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide has been reported in Danaus genutia with data available.
Names & identifiers
- Preferred name
- 3-[(6-Deoxyhexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide
- IUPAC
- (3S,5S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
26931-65-7DTXSID509497133-[(6-Deoxyhexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide(8xi,9xi)-3beta-[(6-Deoxy-beta-D-glycero-hexopyranosyl)oxy]-14-hydroxy-19-oxo-5alpha-card-20(22)-enolide
Database identifiers
- CAS
26931-65-7- PubChem CID
- 33647
- DTXSID
DTXSID50949713
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 999
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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