Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-, (5β)-

CAS Registry Number®

80-96-6
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CAS Name

Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-, (5β)-

Molecular Formula

C25H36O6

Molecular Mass

432.55

Cite this Page

Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-, (5β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80-96-6 (retrieved 2024-05-20) (CAS RN: 80-96-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H36O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h15,17-20H,3-14H2,1-2H3,(H,28,29)/t15-,17+,18+,19+,20-,24+,25+/m1/s1

InChIKey

InChIKey=KLRNMIUKAXHHFS-ZILYODKUSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(CC(=O)CC4)[H])(CC1)[H])[H])(CC[C@@H]2C(COC(CCC(O)=O)=O)=O)[H]

Canonical SMILES

O=C(O)CCC(=O)OCC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-, (5β)-
  • 5β-Pregnane-3,20-dione, 21-hydroxy-, hydrogen succinate
  • 5β-Pregnane-3,20-dione, 21-hydroxy-, succinate

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