Basic information
- CAS
6785-70-2- Standard SMILES
C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1C2C(O)C[C@]2(C=O)C(C3=CC(=O)OC3)CC[C@]12O- InChIKey
KKEVCQDNOHUAOZ-QBAFWMPPSA-N- Molecular formula
- C23H32O7
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.21480336
Names & identifiers
- Preferred name
- 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide
- IUPAC
- (3S,5S,8R,10R,13S,14S)-3,5,11,14-tetrahydroxy-10-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
Names & synonyms
DTXSID909871993,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide(9xi,17xi)-3beta,5,11,14-Tetrahydroxy-18-oxo-5beta-card-20(22)-enolide
Database identifiers
- CAS
6785-70-2- PubChem CID
- 23232
- DTXSID
DTXSID90987199
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 809
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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