(3β,12β,14β,17α)-3,8,12,14,17-Pentahydroxypregn-5-en-20-one

CAS Registry Number®

3513-04-0

CAS Name

(3β,12β,14β,17α)-3,8,12,14,17-Pentahydroxypregn-5-en-20-one

Molecular Formula

C21H32O6

Molecular Mass

380.48

Cite this Page

(3β,12β,14β,17α)-3,8,12,14,17-Pentahydroxypregn-5-en-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3513-04-0 (retrieved 2024-11-21) (CAS RN: 3513-04-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-223 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H32O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,14-16,23-27H,5-11H2,1-3H3/t14-,15+,16+,17-,18+,19+,20-,21+/m0/s1

InChIKey

InChIKey=ATMZVVNNICECKQ-MNSFQJRNSA-N

SMILES

O[C@@]12[C@@]3(O)[C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(C[C@@H](O)[C@]1(C)[C@@](C(C)=O)(O)CC2)[H]

Canonical SMILES

O=C(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Pregn-5-en-20-one, 3,8,12,14,17-pentahydroxy-, (3β,12β,14β,17α)-
  • 14β,17α-Pregn-5-en-20-one, 3β,8,12β,14,17-pentahydroxy-
  • (3β,12β,14β,17α)-3,8,12,14,17-Pentahydroxypregn-5-en-20-one
  • Deacylmetaplexigenin
  • Desacetylmetaplexigenin

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration