Deoxycholic acid 3-glucuronide
CAS Registry Number®
72504-58-6
CAS Name
Deoxycholic acid 3-glucuronideMolecular Formula
C30H48O10Molecular Mass
568.70Cite this Page
Deoxycholic acid 3-glucuronide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=72504-58-6 (retrieved ) (CAS RN: 72504-58-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H48O10/c1-14(4-9-22(32)33)18-7-8-19-17-6-5-15-12-16(10-11-29(15,2)20(17)13-21(31)30(18,19)3)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChIKey
InChIKey=NNEIBJNHWVDJBA-GYSLYLNXSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)CC4)[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3CCC4CC(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,12α)-23-carboxy-12-hydroxy-24-norcholan-3-yl
- (3α,5β,12α)-23-Carboxy-12-hydroxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid
- Deoxycholic acid 3-glucuronide