Abieta-8,13-dien-18-ol
Basic information
- CAS
21414-53-9- Standard SMILES
CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(CO)C1CC2- InChIKey
PMRGRURZTGRVDP-UHFFFAOYSA-N- Molecular formula
- C20H32O
- Average molar mass
- 288.5 g/mol
- Monoisotopic mass
- 288.24531564
Names & identifiers
- Preferred name
- Abieta-8,13-dien-18-ol
- IUPAC
- (1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthren-1-yl)methanol
Names & synonyms
Palustrinolabieta-8,13-dien-18-olPalustrol-pinusSCHEMBL30018920DTXSID90943977PMRGRURZTGRVDP-UHFFFAOYSA-NNS00049151((1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthren-1-yl)methanol1-Phenanthrenemethanol, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-1-Phenanthrenemethanol, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
Database identifiers
- CAS
21414-53-9- PubChem CID
- 89499
- DTXSID
DTXSID90943977
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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