17,17-Ethylenedioxy-2-methoxyestra-1,3,5(10)-trien-3-ol
Basic information
- Standard SMILES
COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1- InChIKey
NSGOLKGQPZWMKY-MQJTVSLUSA-N- Molecular formula
- C21H28O4
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- 17,17-Ethylenedioxy-2-methoxyestra-1,3,5(10)-trien-3-ol
- IUPAC
- (8'R,9'S,13'S,14'S)-2'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-ol
Names & synonyms
SCHEMBL6303528NSGOLKGQPZWMKY-MQJTVSLUSA-N17,17-Ethylenedioxy-2-methoxyestra-1,3,5(10)-trien-3-ol17,17-Ethylenedioxy-2-methoxyestra-1,3,5(l 0)-trien-3-ol
Database identifiers
- PubChem CID
- 69736204
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 516
Related reactions
2 records
Compound notes
Loading…