6-Dehydroestradiol
CAS Registry Number®
7291-41-0
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CAS Name
6-DehydroestradiolMolecular Formula
C18H22O2Molecular Mass
270.37Cite this Page
6-Dehydroestradiol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=7291-41-0 (retrieved ) (CAS RN: 7291-41-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
225-227 °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/h2-5,10,14-17,19-20H,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKey
InChIKey=VVLCELUSWGWMSW-ZBRFXRBCSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(C=C3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]
Canonical SMILES
OC=1C=CC2=C(C=CC3C2CCC4(C)C(O)CCC34)C1
Other Names for this Substance
- Estra-1,3,5(10),6-tetraene-3,17-diol, (17β)-
- Estra-1,3,5(10),6-tetraene-3,17β-diol
- (17β)-Estra-1,3,5(10),6-tetraene-3,17-diol
- Δ6,7-Estradiol
- Estra-1,3,5(10)-6-tetraen-3,17β-diol
