Basic information
- CAS
80453-72-1- Standard SMILES
C=C1C(=O)OC2C1C(OC(=O)C(C)CC)C(OC(C)=O)C(C)CC(O)C1OC1(C)C2O- InChIKey
JBZUUXNUAXEKGK-UHFFFAOYSA-N- Molecular formula
- C22H32O9
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.20463259
Names & identifiers
- Preferred name
- (9-Acetyloxy-2,6-dihydroxy-3,8-dimethyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl) 2-methylbutanoate
- IUPAC
- (9-acetyloxy-2,6-dihydroxy-3,8-dimethyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl) 2-methylbutanoate
Names & synonyms
NSC34618580453-72-1VICOA INDICA, VI P00DTXSID80330998NSC-3461855-(Acetyloxy)-2,10-dihydroxy-4,10a-dimethyl-7-methylidene-8-oxododecahydrooxireno[8,9]cyclodeca[1,2-b]furan-6-yl 2-methylbutanoate
Database identifiers
- CAS
80453-72-1- PubChem CID
- 434232
- DTXSID
DTXSID80330998
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 764
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…