β-D-Glucopyranosiduronic acid, (16α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl, monosodium salt

CAS Registry Number®

1852-44-4

CAS Name

β-D-Glucopyranosiduronic acid, (16α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl, monosodium salt

Molecular Formula

C24H32O9.Na

Cite this Page

β-D-Glucopyranosiduronic acid, (16α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl, monosodium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1852-44-4 (retrieved 2024-12-26) (CAS RN: 1852-44-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O9.Na/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31;/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31);/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+;/m1./s1

InChIKey

InChIKey=OSYPVDZAIVGZEQ-NPSQBYGWSA-N

SMILES

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

Canonical SMILES

[Na].O=C(O)C1OC(OC2CC3C4CCC5=CC(O)=CC=C5C4CCC3(C)C2O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (16α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl, monosodium salt
  • Glucopyranosiduronic acid, 3,17β-dihydroxyestra-1,3,5(10)-trien-16α-yl, sodium salt, β-D-
  • Estrane, β-D-glucopyranosiduronic acid deriv.
  • Estriol 16-glucuronide sodium salt

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.