(3β)-3,17-Bis(acetyloxy)pregn-5-en-20-one

CAS Registry Number®

3517-38-2

CAS Name

(3β)-3,17-Bis(acetyloxy)pregn-5-en-20-one

Molecular Formula

C25H36O5

Molecular Mass

416.55

Cite this Page

(3β)-3,17-Bis(acetyloxy)pregn-5-en-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3517-38-2 (retrieved 2024-11-22) (CAS RN: 3517-38-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-195 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H36O5/c1-15(26)25(30-17(3)28)13-10-22-20-7-6-18-14-19(29-16(2)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h6,19-22H,7-14H2,1-5H3/t19-,20+,21-,22-,23-,24-,25-/m0/s1

InChIKey

InChIKey=JLYQTAVPLWZAFP-JNFBOQJPSA-N

SMILES

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

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C3CCC4(OC(=O)C)C(=O)C)C2(C)CC1)C

Other Names for this Substance

  • Pregn-5-en-20-one, 3,17-bis(acetyloxy)-, (3β)-
  • Pregn-5-en-20-one, 3β,17-dihydroxy-, diacetate
  • (3β)-3,17-Bis(acetyloxy)pregn-5-en-20-one
  • 3β,17α-Diacetoxypregn-5-en-20-one
  • 3β,17-Diacetoxypregn-5-en-20-one

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration