(17β)-3,17-Bis[(1-oxopentyl)oxy]estra-1,3,5(10)-trien-6-one

CAS Registry Number®

1350468-78-8

CAS Name

(17β)-3,17-Bis[(1-oxopentyl)oxy]estra-1,3,5(10)-trien-6-one

Molecular Formula

C28H38O5

Molecular Mass

454.60

Cite this Page

(17β)-3,17-Bis[(1-oxopentyl)oxy]estra-1,3,5(10)-trien-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1350468-78-8 (retrieved 2024-11-24) (CAS RN: 1350468-78-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O5/c1-4-6-8-26(30)32-18-10-11-19-20-14-15-28(3)23(21(20)17-24(29)22(19)16-18)12-13-25(28)33-27(31)9-7-5-2/h10-11,16,20-21,23,25H,4-9,12-15,17H2,1-3H3/t20-,21-,23+,25+,28+/m1/s1

InChIKey

InChIKey=MGZAGEZPKGTPRU-RNRUCVIISA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(C(=O)C3)=CC(OC(CCCC)=O)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(CCCC)=O)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)C(=O)CC3C2CCC4(C)C(OC(=O)CCCC)CCC34)CCCC

Other Names for this Substance

  • Estra-1,3,5(10)-trien-6-one, 3,17-bis[(1-oxopentyl)oxy]-, (17β)-
  • (17β)-3,17-Bis[(1-oxopentyl)oxy]estra-1,3,5(10)-trien-6-one

CAS INSIGHTSTM
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