Aldosterone 18-glucuronide

CAS Registry Number®

3604-86-2

CAS Name

Aldosterone 18-glucuronide

Molecular Formula

C27H36O11

Molecular Mass

536.57

Cite this Page

Aldosterone 18-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3604-86-2 (retrieved 2024-11-22) (CAS RN: 3604-86-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H36O11/c1-26-7-6-12(29)8-11(26)2-3-13-14-4-5-15(16(30)10-28)27(14)9-17(18(13)26)36-25(27)38-24-21(33)19(31)20(32)22(37-24)23(34)35/h8,13-15,17-22,24-25,28,31-33H,2-7,9-10H2,1H3,(H,34,35)/t13-,14-,15+,17-,18+,19-,20-,21+,22-,24-,25?,26-,27+/m0/s1

InChIKey

InChIKey=OMRIQCUHVVBJKI-QAUMJDADSA-N

SMILES

O(C1[C@@]23[C@]([C@]4([C@]([C@](C2)(O1)[H])([C@]5(C)C(CC4)=CC(=O)CC5)[H])[H])(CC[C@@H]3C(CO)=O)[H])[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O

Canonical SMILES

O=C(O)C1OC(OC2OC3CC24C(C(=O)CO)CCC4C5CCC6=CC(=O)CCC6(C)C35)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (11β)-11,18-epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl
  • Glucopyranosiduronic acid, 11β,18-epoxy-21-hydroxy-3,20-dioxo-pregn-4-en-18-yl, β-D-
  • Glucosiduronic acid, 11β,18-epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl
  • Pregn-4-ene-3,20-dione, 11β,18-epoxy-18-(β-D-glucopyranuronosyloxy)-21-hydroxy-
  • (11β)-11,18-Epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl β-D-glucopyranosiduronic acid

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Deleted or Replaced CAS Registry Numbers

27710-23-2, 30326-34-2, 31016-91-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration