Basic information
- CAS
1616-86-0- Standard SMILES
C=C/C(C)=C/C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O- InChIKey
ZAZVCYBIABTSJR-ITALKTEQSA-N- Molecular formula
- C20H34O
- Average molar mass
- 290.5 g/mol
- Monoisotopic mass
- 290.2609657
Overview
trans-abienol has been reported in Pinus strobus with data available.
Names & identifiers
- Preferred name
- d-Abienol
- IUPAC
- (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Names & synonyms
d-Abienoltrans-abienol1616-86-0(1R,4aalpha)-Decahydro-2,5,5,8abeta-tetramethyl-1beta-(3-methyl-2,4-pentadienyl)-naphthalen-2alpha-ol2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-2,4-pentadienyl)-, (1R,2R,4aS,8aS)-Z-abienolSCHEMBL8731628(12Z)-labda-12,14-dien-8alphaolQ67880120
Database identifiers
- CAS
1616-86-0- PubChem CID
- 643003
- Nikkaji
- J37.486E
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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