(3α,5β,7α,12α)-24-[(Carboxymethyl)amino]-7,12-dihydroxy-24-oxocholan-3-yl β-D-glucopyranosiduronic acid
CAS Registry Number®
99794-78-2
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CAS Name
(3α,5β,7α,12α)-24-[(Carboxymethyl)amino]-7,12-dihydroxy-24-oxocholan-3-yl β-D-glucopyranosiduronic acidMolecular Formula
C32H51NO12Molecular Mass
641.75Cite this Page
(3α,5β,7α,12α)-24-[(Carboxymethyl)amino]-7,12-dihydroxy-24-oxocholan-3-yl β-D-glucopyranosiduronic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=99794-78-2 (retrieved ) (CAS RN: 99794-78-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H51NO12/c1-14(4-7-22(36)33-13-23(37)38)17-5-6-18-24-19(12-21(35)32(17,18)3)31(2)9-8-16(10-15(31)11-20(24)34)44-30-27(41)25(39)26(40)28(45-30)29(42)43/h14-21,24-28,30,34-35,39-41H,4-13H2,1-3H3,(H,33,36)(H,37,38)(H,42,43)
InChIKey
InChIKey=BWWWIHHYPYDOJQ-UHFFFAOYSA-N
SMILES
OC1C2C3C(C)(C(C(CCC(NCC(O)=O)=O)C)CC3)C(O)CC2C4(C)C(C1)CC(OC5OC(C(O)=O)C(O)C(O)C5O)CC4
Canonical SMILES
O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, (3α,5β,7α,12α)-24-[(carboxymethyl)amino]-7,12-dihydroxy-24-oxocholan-3-yl
- (3α,5β,7α,12α)-24-[(Carboxymethyl)amino]-7,12-dihydroxy-24-oxocholan-3-yl β-D-glucopyranosiduronic acid
- Glycocholic acid 3-glucuronide
Deleted or Replaced CAS Registry Numbers
79252-52-1
