6-Dehydroestradiol

CAS Registry Number®

7291-41-0

CAS Name

6-Dehydroestradiol

Molecular Formula

C18H22O2

Molecular Mass

270.37

Cite 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 2024-11-21) (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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration