Basic information
- CAS
76675-89-3- Standard SMILES
CCCCC(=O)OC1C(c2ccc(=O)oc2)C2(C)CCC3C(CCC4CC(OC(C)=O)CCC43C)C23OC13- InChIKey
UTPCTZGPEOEJIV-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] pentanoate
- 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] pentanoate
Names & synonyms
NSC26790376675-89-3DTXSID60313224NSC-2679033-(Acetyloxy)-16-(pentanoyloxy)-14,15-epoxybufa-20,22-dienolide
Database identifiers
- CAS
76675-89-3- PubChem CID
- 320378
- DTXSID
DTXSID60313224
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…