Basic information
- CAS
26906-52-5- Standard SMILES
CC(C)C1CC2CCC3C(C)(C(=O)O)CCCC3(C)C2CC1CO- InChIKey
KZSCUPZZIHOXHT-UHFFFAOYSA-N- Molecular formula
- C21H36O3
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.26644501
Names & identifiers
- Preferred name
- 12-(Hydroxymethyl)abietan-18-oic acid
- IUPAC
- 6-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
Names & synonyms
26906-52-512-(hydroxymethyl)abietan-18-oic acidNSC162408DTXSID80303829NSC-162408
Database identifiers
- CAS
26906-52-5- PubChem CID
- 294337
- DTXSID
DTXSID80303829
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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