21-(β-D-Glucopyranosyloxy)pregn-4-ene-3,20-dione

CAS Registry Number®

4319-56-6
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CAS Name

21-(β-D-Glucopyranosyloxy)pregn-4-ene-3,20-dione

Molecular Formula

C27H40O8

Molecular Mass

492.60

Cite this Page

21-(β-D-Glucopyranosyloxy)pregn-4-ene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4319-56-6 (retrieved 2024-04-25) (CAS RN: 4319-56-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H40O8/c1-26-9-7-15(29)11-14(26)3-4-16-17-5-6-19(27(17,2)10-8-18(16)26)20(30)13-34-25-24(33)23(32)22(31)21(12-28)35-25/h11,16-19,21-25,28,31-33H,3-10,12-13H2,1-2H3/t16-,17-,18-,19+,21+,22+,23-,24+,25+,26-,27-/m0/s1

InChIKey

InChIKey=SMSMUZPFFJLROV-LARVYCNESA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@H]2C(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=O)[H]

Canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(C(=O)COC5OC(CO)C(O)C(O)C5O)CCC34)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 21-(β-D-glucopyranosyloxy)-
  • Corticosterone, deoxy-, β-D-glucopyranoside
  • 21-(β-D-Glucopyranosyloxy)pregn-4-ene-3,20-dione
  • Deoxycorticosterone β-D-glucopyranoside
  • 11-Deoxycorticosterone glucoside

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Deleted or Replaced CAS Registry Numbers

35-56-3, 23327-85-7, 23327-69-7

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