Pimarane-7,16,18-triol
Basic information
- CAS
2471-58-1- Standard SMILES
CC1(CCO)CCC2C(C1)C(O)CC1C(C)(CO)CCCC21C- InChIKey
YPILQDVTWFLRKP-UHFFFAOYSA-N- Molecular formula
- C20H36O3
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.26644501
Names & identifiers
- Preferred name
- Pimarane-7,16,18-triol
- IUPAC
- 7-(2-hydroxyethyl)-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthren-9-ol
Names & synonyms
2471-58-1pimarane-7,16,18-triolNSC149552DTXSID70947650NSC-149552
Database identifiers
- CAS
2471-58-1- PubChem CID
- 288374
- DTXSID
DTXSID70947650
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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