Basic information
- Standard SMILES
C=C(C)[C@@H]1C(=O)C[C@@H](C)[C@]2(O)C3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@@H]12- InChIKey
BSVMBYATENQPHV-XFZRQYKWSA-N- Molecular formula
- C20H26O5
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.17802393
Names & identifiers
- Preferred name
- Crotophorbolone
- IUPAC
- (3aR,6aS,7R,10R,10aR)-3a,10a-dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-7-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulene-3,8-dione
Names & synonyms
CrotophorboloneBSVMBYATENQPHV-XFZRQYKWSA-N
Database identifiers
- PubChem CID
- 102259583
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 718
Related reactions
3 records
Compound notes
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