21-Hydroxy-3,20-dioxopregn-4-en-19-al

CAS Registry Number®

75220-37-0

CAS Name

21-Hydroxy-3,20-dioxopregn-4-en-19-al

Molecular Formula

C21H28O4

Molecular Mass

344.44

Cite this Page

21-Hydroxy-3,20-dioxopregn-4-en-19-al.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75220-37-0 (retrieved 2024-12-23) (CAS RN: 75220-37-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158-160 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,12,15-18,22H,2-9,11H2,1H3/t15-,16-,17-,18+,20-,21+/m0/s1

InChIKey

InChIKey=PDNIPWXQYQYCSU-ZOCXKQACSA-N

SMILES

C(=O)[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(CO)=O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H]

Canonical SMILES

O=CC12C(=CC(=O)CC1)CCC3C2CCC4(C)C(C(=O)CO)CCC34

Other Names for this Substance

  • Pregn-4-en-19-al, 21-hydroxy-3,20-dioxo-
  • 21-Hydroxy-3,20-dioxopregn-4-en-19-al
  • 19-Oxodeoxycorticosterone

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.