(+)-Aldosterone

CAS Registry Number®

52-39-1

CAS Name

(+)-Aldosterone

Molecular Formula

C21H28O5

Molecular Mass

360.44

Cite this Page

(+)-Aldosterone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52-39-1 (retrieved 2024-12-06) (CAS RN: 52-39-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1

InChIKey

InChIKey=PQSUYGKTWSAVDQ-ZVIOFETBSA-N

SMILES

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

Canonical SMILES

O=CC12CC(O)C3C(CCC4=CC(=O)CCC43C)C2CCC1C(=O)CO

Other Names for this Substance

  • Pregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11β)-
  • Aldosterone
  • (11β)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al
  • Aldocorten
  • Aldocortene

Deleted or Replaced CAS Registry Numbers

152-04-5, 10328-70-8, 47468-70-2

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background