(16α,17β)-2-Methoxyestra-1,3,5(10)-triene-3,16,17-triol

CAS Registry Number®

1236-72-2

CAS Name

(16α,17β)-2-Methoxyestra-1,3,5(10)-triene-3,16,17-triol

Molecular Formula

C19H26O4

Molecular Mass

318.41

Cite this Page

(16α,17β)-2-Methoxyestra-1,3,5(10)-triene-3,16,17-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1236-72-2 (retrieved 2024-11-24) (CAS RN: 1236-72-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H26O4/c1-19-6-5-11-12(14(19)9-16(21)18(19)22)4-3-10-7-15(20)17(23-2)8-13(10)11/h7-8,11-12,14,16,18,20-22H,3-6,9H2,1-2H3/t11-,12+,14-,16+,18-,19-/m0/s1

InChIKey

InChIKey=PEXPJFWTSZLEAQ-YSYMNNNUSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=C(OC)C4)(CC1)[H])[H])(C[C@@H](O)[C@@H]2O)[H]

Canonical SMILES

OC=1C=C2C(=CC1OC)C3CCC4(C)C(O)C(O)CC4C3CC2

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,16,17-triol, 2-methoxy-, (16α,17β)-
  • Estra-1,3,5(10)-triene-3,16α,17β-triol, 2-methoxy-
  • Estriol, 2-methoxy-
  • (16α,17β)-2-Methoxyestra-1,3,5(10)-triene-3,16,17-triol
  • 2-Methoxyestriol

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Deleted or Replaced CAS Registry Numbers

23020-70-4, 31263-36-2