16-Ketoestradiol
CAS Registry Number®
566-75-6
No image available.
CAS Name
16-KetoestradiolMolecular Formula
C18H22O3Molecular Mass
286.37Cite this Page
16-Ketoestradiol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=566-75-6 (retrieved ) (CAS RN: 566-75-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
247-252 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1
InChIKey
InChIKey=KJDGFQJCHFJTRH-YONAWACDSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CC(=O)[C@@H]2O)[H]
Canonical SMILES
O=C1CC2C3CCC4=CC(O)=CC=C4C3CCC2(C)C1O
Other Names for this Substance
- Estra-1,3,5(10)-trien-16-one, 3,17-dihydroxy-, (17β)-
- Estra-1,3,5(10)-trien-16-one, 3,17β-dihydroxy-
- (17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-16-one
- 16-Ketoestradiol
- 16-Oxo-17β-estradiol
