Basic information
- CAS
6967-26-6- Standard SMILES
CC12CCC3C(CCC4=CC(=O)C=CC43C)C1C(O)CC(=O)O2- InChIKey
YHUCLCNBFMFJFZ-UHFFFAOYSA-N- Molecular formula
- C19H24O4
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.16745924
Names & identifiers
- Preferred name
- 4-Hydroxy-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2h-naphtho[2,1-f]chromene-2,8(4bh)-dione
- IUPAC
- 4-hydroxy-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
Names & synonyms
6967-26-64-hydroxy-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2h-naphtho[2,1-f]chromene-2,8(4bh)-dioneDTXSID20290360NSC68284NSC-682844-Hydroxy-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-phenanthro[2,1-b]pyran-2,8(4bH)-dione
Database identifiers
- CAS
6967-26-6- PubChem CID
- 249702
- DTXSID
DTXSID20290360
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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