Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1cc2c(cc1OC(C)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1- InChIKey
CUCHLOAMTHEHBF-YZIUBNRHSA-N- Molecular formula
- C23H30O5
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.20932405
Names & identifiers
- Preferred name
- 17,17-Ethylenedioxy-2-methoxyestra-1,3,5(10)-trien-3-ol Acetate
- 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'-yl] acetate
Names & synonyms
SCHEMBL6303698CUCHLOAMTHEHBF-YZIUBNRHSA-N17,17-Ethylenedioxy-2-methoxyestra-1,3,5(10)-trien-3-ol Acetate
Database identifiers
- PubChem CID
- 69736248
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 614
Related reactions
2 records
Compound notes
Loading…