(16α,17β)-3-(2-Propen-1-yloxy)estra-1,3,5(10)-triene-16,17-diol

CAS Registry Number®

10448-94-9

CAS Name

(16α,17β)-3-(2-Propen-1-yloxy)estra-1,3,5(10)-triene-16,17-diol

Molecular Formula

C21H28O3

Molecular Mass

328.45

Cite this Page

(16α,17β)-3-(2-Propen-1-yloxy)estra-1,3,5(10)-triene-16,17-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10448-94-9 (retrieved 2025-01-03) (CAS RN: 10448-94-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19-,20+,21+/m1/s1

InChIKey

InChIKey=GVKVGOGUDSJCLX-YQPXSLGVSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OCC=C)=CC4)(CC1)[H])[H])(C[C@@H](O)[C@@H]2O)[H]

Canonical SMILES

OC1CC2C3CCC4=CC(OCC=C)=CC=C4C3CCC2(C)C1O

Other Names for this Substance

  • Estra-1,3,5(10)-triene-16,17-diol, 3-(2-propen-1-yloxy)-, (16α,17β)-
  • Estra-1,3,5(10)-triene-16α,17β-diol, 3-(allyloxy)-
  • Estra-1,3,5(10)-triene-16,17-diol, 3-(2-propenyloxy)-, (16α,17β)-
  • (16α,17β)-3-(2-Propen-1-yloxy)estra-1,3,5(10)-triene-16,17-diol
  • NSC 72157

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