Pimara-9(11),15-dien-18-yl acetate
Basic information
- CAS
119290-88-9- Standard SMILES
C=C[C@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(COC(C)=O)CCC[C@@]23C)C1- InChIKey
QRVZURZJWBNHAO-SSXICUSMSA-N- Molecular formula
- C22H34O2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.25588032
Names & identifiers
- Preferred name
- Pimara-9(11),15-dien-18-yl acetate
- IUPAC
- [(1R,4aR,7R,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl acetate
Names & synonyms
119290-88-9Pimara-9(11),15-dien-18-yl acetateDTXSID50922920(-)-Primara-9(11),15-dien-19-ol 19-acetate5beta,10alpha-Pimara-9(11),15-dien-18-yl acetate1-Phenanthrenemethanol, 7-ethenyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro- 1,4a,7-trimethyl-, acetate, (1R-(1alpha,4aalpha,7alpha,8abeta,10abeta))-
Database identifiers
- CAS
119290-88-9- PubChem CID
- 189665
- DTXSID
DTXSID50922920
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 562
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Related reactions
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Compound notes
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