2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one
Basic information
- CAS
126006-07-3- Standard SMILES
COc1c(O)c(C(C)C)cc2c1C1(C)CC(O)CC(C)(C)C1CC2=O- InChIKey
SSARVOPSNXIOIU-UHFFFAOYSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21440943
Names & identifiers
- Preferred name
- 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one
- IUPAC
- 3,6-dihydroxy-5-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Names & synonyms
126006-07-32alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-oneDTXSID109253763(4bH)-Phenanthrenone, 5,6,7,8,8a,9-hexahydro-6,10-dihydroxy-4-methoxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-(4balpha,6beta,8abeta))-2,12-dihydroxy-11-methoxyabieta-8(14),9(11),12-trien-7-one
Database identifiers
- CAS
126006-07-3- PubChem CID
- 183754
- DTXSID
DTXSID10925376
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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