Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester, (17Z)-

CAS Registry Number®

1474-15-3
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CAS Name

Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester, (17Z)-

Molecular Formula

C22H28O4

Molecular Mass

356.46

Cite this Page

Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester, (17Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1474-15-3 (retrieved 2024-05-21) (CAS RN: 1474-15-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213.5-215.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H28O4/c1-21-9-8-15(23)10-13(21)4-6-16-17-7-5-14(11-19(25)26-3)22(17,2)12-18(24)20(16)21/h10-11,16-17,20H,4-9,12H2,1-3H3/b14-11-/t16-,17-,20+,21-,22+/m0/s1

InChIKey

InChIKey=MVLYYRYIEZOWIZ-FLMHVLNXSA-N

SMILES

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

Canonical SMILES

O=C(OC)C=C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C

Other Names for this Substance

  • Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester, (17Z)-
  • Pregna-4,17(20)-dien-21-oic acid, 3,11-dioxo-, methyl ester, (Z)-
  • U 2726
  • NSC 3352

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