Basic information
- CAS
90523-38-9- Standard SMILES
C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C/C(C)=C/CC/C(C)=C/CC[C@@]1(C)O[C@H]21- InChIKey
ARVXFCIVVWNIRM-CRDNPJFJSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- (1S,2R,4R,7E,11E,14S,15R)-14-hydroxy-4,8,12-trimethyl-16-methylidene-3,18-dioxatricyclo[13.3.0.02,4]octadeca-7,11-dien-17-one
- IUPAC
- (1S,2R,4R,7E,11E,14S,15R)-14-hydroxy-4,8,12-trimethyl-16-methylidene-3,18-dioxatricyclo[13.3.0.02,4]octadeca-7,11-dien-17-one
- English name
- (1aR,4E,8E,11S,11aR,14aS,14bR)-2,3,6,7,10,11,11a,12,14a,14b-Decahydro-11-hydroxy-1a,5,9-trimethyl-12-methyleneoxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one
- Molecular formula
- C20H28O4
- Molecular weight
- 332.43392
Names & synonyms
(1aR,4E,8E,11S,11aR,14aS,14bR)-2,3,6,7,10,11,11a,12,14a,14b-Decahydro-11-hydroxy-1a,5,9-trimethyl-12-methyleneoxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one
Database identifiers
- CAS
90523-38-9- Nikkaji
- J181.772H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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