Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(3-oxohexanoate)

CAS Registry Number®

60883-80-9
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CAS Name

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(3-oxohexanoate)

Molecular Formula

C24H32O4

Molecular Mass

384.51

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(3-oxohexanoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=60883-80-9 (retrieved 2024-04-20) (CAS RN: 60883-80-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O4/c1-3-4-16(25)14-23(27)28-22-10-9-21-20-7-5-15-13-17(26)6-8-18(15)19(20)11-12-24(21,22)2/h6,8,13,19-22,26H,3-5,7,9-12,14H2,1-2H3/t19-,20-,21+,22+,24+/m1/s1

InChIKey

InChIKey=LLWMXKOTHFASEO-NTYLBUJVSA-N

SMILES

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

Canonical SMILES

O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)CC(=O)CCC

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(3-oxohexanoate)
  • Estradiol, 17-(3-oxohexanoate)

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