(1S-(1alpha,3Abeta,4alpha,8abeta,9S*))-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-methyl acetate
Basic information
- CAS
18367-70-9- Standard SMILES
CC(=O)OCC1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C- InChIKey
FWCPQBUXTSVEIC-KXBASQGXSA-N- Molecular formula
- C17H28O2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.20893013
Names & identifiers
- Preferred name
- (1S-(1alpha,3Abeta,4alpha,8abeta,9S*))-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-methyl acetate
- IUPAC
- [(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methyl acetate
Names & synonyms
18367-70-9EINECS 242-240-0[(1s,3ar,4s,8as)-4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl]methyl acetate(1S-(1alpha,3Abeta,4alpha,8abeta,9S*))-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-methyl acetateDTXSID00939740FWCPQBUXTSVEIC-KXBASQGXSA-N(4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl)methyl acetate
Database identifiers
- CAS
18367-70-9- PubChem CID
- 87600
- DTXSID
DTXSID00939740- EC Number
- 242-240-0
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
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Related reactions
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Compound notes
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