21-Deoxycortisol

CAS Registry Number®

641-77-0

CAS Name

21-Deoxycortisol

Molecular Formula

C21H30O4

Molecular Mass

346.46

Cite this Page

21-Deoxycortisol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=641-77-0 (retrieved 2024-11-25) (CAS RN: 641-77-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225-228 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=LCZBQMKVFQNSJR-UJPCIWJBSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]

Canonical SMILES

O=C1C=C2CCC3C4CCC(O)(C(=O)C)C4(C)CC(O)C3C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 11,17-dihydroxy-, (11β)-
  • Pregn-4-ene-3,20-dione, 11β,17-dihydroxy-
  • Progesterone, 11β,17-dihydroxy-
  • (11β)-11,17-Dihydroxypregn-4-ene-3,20-dione
  • 11β,17α-Dihydroxypregn-4-ene-3,20-dione

View All

Deleted or Replaced CAS Registry Numbers

186821-85-2

CAS INSIGHTSTM
Hourglass and a clock