Basic information
- CAS
40776-52-1- Standard SMILES
CC1c2ccoc2CC2C1C(O)C(O)C1C(C)(C)CCCC21C- InChIKey
LMOVGTPTUFELOS-UHFFFAOYSA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Names & identifiers
- Preferred name
- 4,4,7,11b-Tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-5,6-diol
- IUPAC
- 4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-5,6-diol
Names & synonyms
NSC29737240776-52-1DTXSID50315797NSC-2973724,4,7,11b-Tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-5,6-diol
Database identifiers
- CAS
40776-52-1- PubChem CID
- 326332
- DTXSID
DTXSID50315797
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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