2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one
Basic information
- CAS
126006-08-4- Standard SMILES
COc1c(O)c(C(C)C)cc2c1[C@@]1(C)C[C@@H](O)CC(C)(C)[C@@H]1[C@@H](O)C2=O- InChIKey
UXGSRNJVSQGMGG-PTMPUTRESA-N- Molecular formula
- C21H30O5
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.20932405
Names & identifiers
- Preferred name
- 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one
- IUPAC
- (3S,4aS,10R,10aS)-3,6,10-trihydroxy-5-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Names & synonyms
126006-08-42alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-oneDTXSID709253773(4bH)-Phenanthrenone, 5,6,7,8,8a,9-hexahydro-6,9,10-trihydroxy-4-methoxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-(4balpha,6beta,8abeta,9beta))-2,6,12-Trihydroxy-11-methoxyabieta-8,11,13-trien-7-one2alpha,6alpha,12-Trihydroxy-11-methoxyabieta-8,11,13-trien-7-one
Database identifiers
- CAS
126006-08-4- PubChem CID
- 183755
- DTXSID
DTXSID70925377
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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