Oleoylestrone

CAS Registry Number®

180003-17-2
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CAS Name

Oleoylestrone

Molecular Formula

C36H54O3

Molecular Mass

534.81

Cite this Page

Oleoylestrone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=180003-17-2 (retrieved 2024-04-19) (CAS RN: 180003-17-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-29-20-22-30-28(27-29)19-21-32-31(30)25-26-36(2)33(32)23-24-34(36)37/h10-11,20,22,27,31-33H,3-9,12-19,21,23-26H2,1-2H3/b11-10-/t31-,32-,33+,36+/m1/s1

InChIKey

InChIKey=IMIPDPVHGGHVNH-YWVHRCQQSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(CCCCCCC/C=C\CCCCCCCC)=O)=CC4)(CC1)[H])[H])(CCC2=O)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C(=O)CCC34)C)CCCCCCCC=CCCCCCCCC

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-
  • Estra-1,3,5(10)-trien-17-one, 3-[(1-oxo-9-octadecenyl)oxy]-, [3(Z)]-
  • Estra-1,3,5(10)-trien-17-one, 3-[[(9Z)-1-oxo-9-octadecenyl]oxy]-
  • 3-[[(9Z)-1-Oxo-9-octadecen-1-yl]oxy]estra-1,3,5(10)-trien-17-one
  • Estrone monooleate

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