Estr-4-en-3-one, 7-methyl-17-[(1-oxoheptyl)oxy]-, (7α,17β)-

CAS Registry Number®

81005-56-3

CAS Name

Estr-4-en-3-one, 7-methyl-17-[(1-oxoheptyl)oxy]-, (7α,17β)-

Molecular Formula

C26H40O3

Molecular Mass

400.59

Cite this Page

Estr-4-en-3-one, 7-methyl-17-[(1-oxoheptyl)oxy]-, (7α,17β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81005-56-3 (retrieved 2024-11-22) (CAS RN: 81005-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-22-25-17(2)15-18-16-19(27)9-10-20(18)21(25)13-14-26(22,23)3/h16-17,20-23,25H,4-15H2,1-3H3/t17-,20+,21-,22+,23+,25-,26+/m1/s1

InChIKey

InChIKey=YHLLSSBURKVUEG-YFGHHJRWSA-N

SMILES

C[C@H]1[C@]2([C@]3([C@@](C)([C@@H](OC(CCCCCC)=O)CC3)CC[C@@]2([C@@]4(C(C1)=CC(=O)CC4)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CCC2C3C(C)CC4=CC(=O)CCC4C3CCC12C)CCCCCC

Other Names for this Substance

  • Estr-4-en-3-one, 7-methyl-17-[(1-oxoheptyl)oxy]-, (7α,17β)-