Basic information
- CAS
19407-36-4- Standard SMILES
CC(C)[C@@H]1CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1- InChIKey
ZJHGZCRUIYHIHW-NZODBCNPSA-N- Molecular formula
- C20H32O2
- Average molar mass
- 304.5 g/mol
Names & identifiers
- Preferred name
- (1R,4aR,4bS,7R,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylic acid
- IUPAC
- (1R,4aR,4bS,7R,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylic acid
- English name
- (13β)-Abiet-7-en-18-oic acid
- Molecular formula
- C20H32O2
- Molecular weight
- 304.47
Names & synonyms
ZJHGZCRUIYHIHW-NZODBCNPSA-NDihydropalustric acid(13β)-Abiet-7-en-18-oic acid1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aR,4bS,7R,10aR)-
Database identifiers
- CAS
19407-36-4- Nikkaji
- J16.571I
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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