Basic information
- CAS
65714-77-4- Standard SMILES
CC(C)C1=C(O)C2=C(C(=O)C1=O)C1(C)CCCC(C)(C)C1C(O)C2OC=O- InChIKey
NSCMIMHUVQXSBW-UHFFFAOYSA-N- Molecular formula
- C21H28O6
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.18858861
Names & identifiers
- Preferred name
- 6,12-Dihydroxy-11,14-dioxoabieta-8,12-dien-7-yl formate
- IUPAC
- (8,10-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl) formate
Names & synonyms
CHEMBL2001532DTXSID20984257NSC-3375816,12-Dihydroxy-11,14-dioxoabieta-8,12-dien-7-yl formate
Database identifiers
- CAS
65714-77-4- PubChem CID
- 433733
- DTXSID
DTXSID20984257- ChEMBL
CHEMBL2001532
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 772
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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