[14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] 3-methylbutanoate
Basic information
- CAS
76675-90-6- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(c4ccc(=O)oc4)C(OC(=O)CC(C)C)C4OC342)C1- InChIKey
LSWGEIDZFJJZMB-UHFFFAOYSA-N- Molecular formula
- C31H42O7
- Average molar mass
- 526.7 g/mol
- Monoisotopic mass
- 526.29305367
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] 3-methylbutanoate
- 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] 3-methylbutanoate
Names & synonyms
NSC26790476675-90-6DTXSID20313225NSC-2679043-(Acetyloxy)-16-[(3-methylbutanoyl)oxy]-14,15-epoxybufa-20,22-dienolide
Database identifiers
- CAS
76675-90-6- PubChem CID
- 320379
- DTXSID
DTXSID20313225
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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