Diethylstilbestrol monoglucuronide

CAS Registry Number®

2408-40-4

CAS Name

Diethylstilbestrol monoglucuronide

Molecular Formula

C24H28O8

Molecular Mass

444.47

Cite this Page

Diethylstilbestrol monoglucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2408-40-4 (retrieved 2024-11-22) (CAS RN: 2408-40-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H28O8/c1-3-17(13-5-9-15(25)10-6-13)18(4-2)14-7-11-16(12-8-14)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h5-12,19-22,24-28H,3-4H2,1-2H3,(H,29,30)/b18-17+/t19-,20-,21+,22-,24+/m0/s1

InChIKey

InChIKey=LJMPVHCKUXKZAV-PDSLVOJVSA-N

SMILES

C(=C(/CC)\C1=CC=C(O)C=C1)(\CC)/C2=CC=C(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)C=C2

Canonical SMILES

O=C(O)C1OC(OC2=CC=C(C=C2)C(=C(C3=CC=C(O)C=C3)CC)CC)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-[(1E)-1-ethyl-2-(4-hydroxyphenyl)-1-buten-1-yl]phenyl
  • Glucopyranosiduronic acid, p-(α,β-diethyl-p-hydroxystyryl)phenyl, (E)-, β-D-
  • β-D-Glucopyranosiduronic acid, 4-[1-ethyl-2-(4-hydroxyphenyl)-1-butenyl]phenyl, (E)-
  • β-D-Glucopyranosiduronic acid, 4-[(1E)-1-ethyl-2-(4-hydroxyphenyl)-1-butenyl]phenyl
  • 4-[(1E)-1-Ethyl-2-(4-hydroxyphenyl)-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid

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Deleted or Replaced CAS Registry Numbers

25360-02-5

CAS INSIGHTSTM
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