Basic information
- CAS
76675-88-2- Standard SMILES
CCC(=O)OC1C(c2ccc(=O)oc2)C2(C)CCC3C(CCC4CC(OC(C)=O)CCC43C)C23OC13- InChIKey
SQOBVIVBZDIZBF-UHFFFAOYSA-N- Molecular formula
- C29H38O7
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.26175355
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] propanoate
- 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] propanoate
Names & synonyms
NSC26790076675-88-2DTXSID40313222NSC-2679003-(Acetyloxy)-16-(propanoyloxy)-14,15-epoxybufa-20,22-dienolide
Database identifiers
- CAS
76675-88-2- PubChem CID
- 320375
- DTXSID
DTXSID40313222
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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