Basic information
- CAS
135293-30-0- Standard SMILES
COc1ccc(C(=O)O[C@H]2C=C(C)CC[C@@]3(O)[C@H](C(C)C)CC[C@@]23C)cc1- InChIKey
IYDWZZNRGMWKMG-BAMDZGJYSA-N- Molecular formula
- C23H32O4
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.2300595
Names & identifiers
- Preferred name
- Lasidiol p-methoxybenzoate
- IUPAC
- [(1S,3aS,4S,8aR)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,2,3,4,7,8-hexahydroazulen-4-yl] 4-methoxybenzoate
Names & synonyms
135293-30-0Lasidiol p-methoxybenzoateDTXSID90928946(1S,3aS,4S,8aR)-8a-hydroxy-3a,6-dimethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-4-yl 4-methoxybenzoate8a-Hydroxy-3a,6-dimethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-4-yl 4-methoxybenzoateBenzoic acid, 4-methoxy-, 1,2,3,3a,4,7,8,8a-octahydro-8a-hydroxy-3a,6-dimethyl-1-(1-methylethyl)-4-azulenyl ester, (1R-(1alpha,3aalpha,4beta,8aalpha))-
Database identifiers
- CAS
135293-30-0- PubChem CID
- 178259
- DTXSID
DTXSID90928946
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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