3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol
Basic information
- CAS
6634-38-4- Standard SMILES
CC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)[C@H]1O- InChIKey
MIAWQCWOHVVLMH-YQPXSLGVSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949481
Overview
3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol is a steroid. It derives from a hydride of an estrane.
Names & identifiers
- Preferred name
- 3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol
- IUPAC
- (8R,9S,13S,14S,16S,17R)-16-ethyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
Names & synonyms
3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol6634-38-4(8R,9S,13S,14S,16S,17R)-16-ethyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diolSCHEMBL10381516CHEBI:79518NSC51842NSC-51842Q27148607
Database identifiers
- CAS
6634-38-4- PubChem CID
- 242863
- ChEBI
CHEBI:79518- Nikkaji
- J2.791.493D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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