11-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione

CAS Registry Number®

62624-72-0
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CAS Name

11-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione

Molecular Formula

C25H34O6

Molecular Mass

430.53

Cite this Page

11-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62624-72-0 (retrieved 2024-09-06) (CAS RN: 62624-72-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20?,23+,24-,25+/m0/s1

InChIKey

InChIKey=JBBNFGYRYNBDIH-RMIGRTJDSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3OC(CCC(O)=O)=O)[C@@H](C(C)=O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H]

Canonical SMILES

O=C(O)CCC(=O)OC1CC2(C)C(C(=O)C)CCC2C3CCC4=CC(=O)CCC4(C)C13

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 11-(3-carboxy-1-oxopropoxy)-
  • 11-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione
  • 11-Hydroxyprogesterone hemisuccinate