3-(Methoxy-d3)estra-1,3,5(10)-trien-17-one

CAS Registry Number®

1093230-99-9
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CAS Name

3-(Methoxy-d3)estra-1,3,5(10)-trien-17-one

Molecular Formula

C19H21D3O2

Cite this Page

3-(Methoxy-d3)estra-1,3,5(10)-trien-17-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1093230-99-9 (retrieved 2024-09-09) (CAS RN: 1093230-99-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    174.4-175.3 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1/i2D3

InChIKey

InChIKey=BCWWDWHFBMPLFQ-YIJAEARJSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC([2H])([2H])[2H])=CC4)(CC1)[H])[H])(CCC2=O)[H]

Canonical SMILES

O=C1CCC2C3CCC4=CC(OC)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 3-(methoxy-d3)-
  • 3-(Methoxy-d3)estra-1,3,5(10)-trien-17-one