Estra-1,3,5(10)-triene-3,4,16,17-tetrol, (16α,17β)-

CAS Registry Number®

60021-32-1
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CAS Name

Estra-1,3,5(10)-triene-3,4,16,17-tetrol, (16α,17β)-

Molecular Formula

C18H24O4

Molecular Mass

304.38

Cite this Page

Estra-1,3,5(10)-triene-3,4,16,17-tetrol, (16α,17β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=60021-32-1 (retrieved 2024-04-24) (CAS RN: 60021-32-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H24O4/c1-18-7-6-10-9-4-5-14(19)16(21)12(9)3-2-11(10)13(18)8-15(20)17(18)22/h4-5,10-11,13,15,17,19-22H,2-3,6-8H2,1H3/t10-,11-,13+,15-,17+,18+/m1/s1

InChIKey

InChIKey=KKXSCWWODCABHQ-OZPBLJIJSA-N

SMILES

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

Canonical SMILES

OC1=CC=C2C(=C1O)CCC3C2CCC4(C)C(O)C(O)CC34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,4,16,17-tetrol, (16α,17β)-
  • 4-Hydroxyestriol

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