9,11-Dehydroestradiol
CAS Registry Number®
791-69-5
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CAS Name
9,11-DehydroestradiolMolecular Formula
C18H22O2Molecular Mass
270.37Cite this Page
9,11-Dehydroestradiol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=791-69-5 (retrieved ) (CAS RN: 791-69-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
174-175 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,10,15-17,19-20H,2,4,6-7,9H2,1H3/t15-,16+,17+,18+/m1/s1
InChIKey
InChIKey=FABGTKBXHAEVKL-OWSLCNJRSA-N
SMILES
C[C@@]12[C@]([C@]3(C(C=4C(CC3)=CC(O)=CC4)=CC1)[H])(CC[C@@H]2O)[H]
Canonical SMILES
OC=1C=CC2=C(C1)CCC3C2=CCC4(C)C(O)CCC34
Other Names for this Substance
- Estra-1,3,5(10),9(11)-tetraene-3,17-diol, (17β)-
- Estra-1,3,5(10),9(11)-tetraene-3,17β-diol
- (17β)-Estra-1,3,5(10),9(11)-tetraene-3,17-diol
- Δ9,11-Estradiol
- J 1213
