(11β)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al

CAS Registry Number®

76025-75-7
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CAS Name

(11β)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al

Molecular Formula

C20H26O5

Molecular Mass

346.42

Cite this Page

(11β)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76025-75-7 (retrieved 2024-09-21) (CAS RN: 76025-75-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H26O5/c21-9-18(25)16-6-5-15-14-3-1-11-7-12(23)2-4-13(11)19(14)17(24)8-20(15,16)10-22/h7,10,13-17,19,21,24H,1-6,8-9H2/t13-,14-,15-,16+,17-,19+,20+/m0/s1

InChIKey

InChIKey=BIDXSZCVYXAGCG-CRGXURCLSA-N

SMILES

C(=O)[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])(CC[C@@H]2C(CO)=O)[H]

Canonical SMILES

O=CC12CC(O)C3C4C(=CC(=O)CC4)CCC3C2CCC1C(=O)CO

Other Names for this Substance

  • 19-Norpregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11β)-
  • (11β)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al
  • 19-Noraldosterone