Pregn-4-en-19-oic acid, 21-hydroxy-3,20-dioxo-

CAS Registry Number®

81309-33-3

CAS Name

Pregn-4-en-19-oic acid, 21-hydroxy-3,20-dioxo-

Molecular Formula

C21H28O5

Molecular Mass

360.44

Cite this Page

Pregn-4-en-19-oic acid, 21-hydroxy-3,20-dioxo-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81309-33-3 (retrieved 2025-02-19) (CAS RN: 81309-33-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14-,15-,16-,17+,20-,21+/m0/s1

InChIKey

InChIKey=RUPOMAOZPOVHQZ-XYNCURNNSA-N

SMILES

C(O)(=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=C1C=C2CCC3C(CCC4(C)C(C(=O)CO)CCC34)C2(C(=O)O)CC1

Other Names for this Substance

  • Pregn-4-en-19-oic acid, 21-hydroxy-3,20-dioxo-

CAS INSIGHTSTM
Lithium-ion battery