β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, sodium salt (1:1)
CAS Registry Number®
15087-06-6
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CAS Name
β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, sodium salt (1:1)Molecular Formula
C24H32O9.NaCite this Page
β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, sodium salt (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=15087-06-6 (retrieved ) (CAS RN: 15087-06-6). 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(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29;/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=OMEVKFHIFIXRHB-NPSQBYGWSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)=CC4)(CC1)[H])[H])(C[C@@H](O)[C@@H]2O)[H].[Na]
Canonical SMILES
[Na].O=C(O)C1OC(OC2=CC=C3C(=C2)CCC4C3CCC5(C)C(O)C(O)CC45)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, sodium salt (1:1)
- Glucopyranosiduronic acid, 16α,17β-dihydroxyestra-1,3,5(10)-trien-3-yl, monosodium salt, β-D-
- β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, monosodium salt
- Estriol sodium 3-glucuronate
