3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4

CAS Registry Number®

81586-98-3

CAS Name

3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4

Molecular Formula

C18H18D4O3

Molecular Mass

290.39

Cite this Page

3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81586-98-3 (retrieved 2025-03-11) (CAS RN: 81586-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2

InChIKey

InChIKey=XQZVQQZZOVBNLU-RFZGAVBWSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=C(O)C(O)=C(C4[2H])[2H])(CC1)[H])[H])(CC(C2=O)([2H])[2H])[H]

Canonical SMILES

O=C1CCC2C3CCC4=C(O)C(O)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one-1,2,16,16-d4, 3,4-dihydroxy-
  • 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4

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