Nilestriol

CAS Registry Number®

39791-20-3

CAS Name

Nilestriol

Molecular Formula

C25H32O3

Molecular Mass

380.52

Cite this Page

Nilestriol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39791-20-3 (retrieved 2024-11-22) (CAS RN: 39791-20-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    162-165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H32O3/c1-3-25(27)23(26)15-22-21-10-8-16-14-18(28-17-6-4-5-7-17)9-11-19(16)20(21)12-13-24(22,25)2/h1,9,11,14,17,20-23,26-27H,4-8,10,12-13,15H2,2H3/t20-,21-,22+,23-,24+,25+/m1/s1

InChIKey

InChIKey=CHZJRGNDJLJLAW-RIQJQHKOSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)(C=4C(CC3)=CC(OC5CCCC5)=CC4)[H])[H])(C[C@@H](O)[C@]2(C#C)O)[H]

Canonical SMILES

C#CC1(O)C(O)CC2C3CCC4=CC(OC5CCCC5)=CC=C4C3CCC21C

Other Names for this Substance

  • 19-Norpregna-1,3,5(10)-trien-20-yne-16,17-diol, 3-(cyclopentyloxy)-, (16α,17α)-
  • (16α,17α)-3-(Cyclopentyloxy)-19-norpregna-1,3,5(10)-trien-20-yne-16,17-diol
  • 17α-Ethynylestriol 3-cyclopentyl ether
  • 3-Cyclopentyloxy-19-nor-17α-pregna-1,3,5(10)-trien-20-yne-16α,17β-diol
  • Nylestriol

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration