3-Deoxyestradiol
CAS Registry Number®
2529-64-8
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CAS Name
3-DeoxyestradiolMolecular Formula
C18H24OMolecular Mass
256.38Cite this Page
3-Deoxyestradiol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2529-64-8 (retrieved ) (CAS RN: 2529-64-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
117.5-119.0 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKey
InChIKey=MUENRDYXOADTOC-ZBRFXRBCSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]
Canonical SMILES
OC1CCC2C3CCC=4C=CC=CC4C3CCC12C
Other Names for this Substance
- Estra-1,3,5(10)-trien-17-ol, (17β)-
- Estra-1,3,5(10)-trien-17β-ol
- (17β)-Estra-1,3,5(10)-trien-17-ol
- Estradiol, 3-deoxy-
- 3-Deoxyestradiol
Deleted or Replaced CAS Registry Numbers
22431-32-9, 1050679-21-4
