Basic information
- CAS
76675-92-8- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(c4ccc(=O)oc4)C(OC(=O)c4ccccc4)C4OC342)C1- InChIKey
VGWVXYJVUZOXRJ-UHFFFAOYSA-N- Molecular formula
- C33H38O7
- Average molar mass
- 546.6 g/mol
- Monoisotopic mass
- 546.26175355
Names & identifiers
- Preferred name
- [14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] benzoate
- IUPAC
- [14-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] benzoate
Names & synonyms
NSC26790676675-92-8DTXSID40313227NSC-2679063-(Acetyloxy)-16-(benzoyloxy)-14,15-epoxybufa-20,22-dienolide
Database identifiers
- CAS
76675-92-8- PubChem CID
- 320381
- DTXSID
DTXSID40313227
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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