Basic information
- CAS
37811-84-0- Standard SMILES
C[C@]12CCC3C(CC[C@]4(O)C[C@@H](OC(=O)c5ccccc5)CC[C@]34C=O)[C@@]1(O)CCC2C1=CC(=O)OC1- InChIKey
MDJKDJJYSDHBSV-HSEJSDLCSA-N- Molecular formula
- C30H36O7
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.24610348
Names & identifiers
- Preferred name
- 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
- IUPAC
- [(3S,5S,10S,13R,14S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Names & synonyms
DTXSID3095884837811-84-03-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolideRefChem:1066992DTXCID101386741Strophanthidin 3-benzoateBRN 0069333(3-beta,5-beta)-3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolideCARD-20(22)-ENOLIDE, 3-(BENZOYLOXY)-5,14-DIHYDROXY-19-OXO-, (3-beta,5-beta)-(8xi,9xi,17xi)-3beta-(Benzoyloxy)-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide
Database identifiers
- CAS
37811-84-0- PubChem CID
- 37837
- DTXSID
DTXSID30958848
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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