Estetrol

CAS Registry Number®

15183-37-6
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CAS Name

Estetrol

Molecular Formula

C18H24O4

Molecular Mass

304.38

Cite this Page

Estetrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15183-37-6 (retrieved 2024-03-05) (CAS RN: 15183-37-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243.7 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1

InChIKey

InChIKey=AJIPIJNNOJSSQC-NYLIRDPKSA-N

SMILES

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

Canonical SMILES

OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)C(O)C(O)C34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,15,16,17-tetrol, (15α,16α,17β)-
  • Estra-1,3,5(10)-triene-3,15α,16α,17β-tetrol
  • (15α,16α,17β)-Estra-1,3,5(10)-triene-3,15,16,17-tetrol
  • 15α-Hydroxyestriol
  • Estetrol

Deleted or Replaced CAS Registry Numbers

30653-26-0

CAS INSIGHTSTM
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