(17β)-17-[[(Cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one

CAS Registry Number®

23454-33-3

CAS Name

(17β)-17-[[(Cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one

Molecular Formula

C26H34O4

Molecular Mass

410.55

Cite this Page

(17β)-17-[[(Cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23454-33-3 (retrieved 2024-11-22) (CAS RN: 23454-33-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    90-95 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C26H34O4/c1-26-14-13-21-20-10-8-19(27)15-18(20)7-9-22(21)23(26)11-12-24(26)30-25(28)29-16-17-5-3-2-4-6-17/h13-15,17,22-24H,2-12,16H2,1H3/t22-,23+,24+,26+/m1/s1

InChIKey

InChIKey=GQJSFWYQKNQCIK-APFRJGHOSA-N

SMILES

C[C@@]12[C@]([C@]3(C(=C4C(CC3)=CC(=O)CC4)C=C1)[H])(CC[C@@H]2OC(OCC5CCCCC5)=O)[H]

Canonical SMILES

O=C(OCC1CCCCC1)OC2CCC3C4C(C=CC23C)=C5C(=CC(=O)CC5)CC4

Other Names for this Substance

  • Estra-4,9,11-trien-3-one, 17-[[(cyclohexylmethoxy)carbonyl]oxy]-, (17β)-
  • Estra-4,9,11-trien-3-one, 17β-hydroxy-, cyclohexylmethyl carbonate
  • Carbonic acid, cyclohexylmethyl ester, ester with 17β-hydroxyestra-4,9,11-trien-3-one
  • Cyclohexanemethanol, hydrogen carbonate, ester with 17β-hydroxyestra-4,9,11-trien-3-one
  • (17β)-17-[[(Cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration