Catalogue Number: BD973
Obeticholic acid 3-O-β-D-glucuronide
6-Ethylchenodeoxycholic acid 3-O-β-D-glucuronide, (3α,5β,6α,7α)-23-Carboxy-6-ethyl-7-hydroxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid
Categories
Properties
- CAS Number
- 2270232-93-2
- Molecular Formula
- C32H52O10
- Molecular Weight
- 596.75
- Chemical Purity
- Min. 95% [1H-NMR]
- Appearance
- Off-White Amorphous Solid
- Solubility
- DMSO, MeOH, H2O
Regulatory
- SDS
- SDS PDF (New Window)
- Search for COA
-
- DSL Status (Canada)
- None
- TSCA Certification (United States)
- Negative Certification
- RTECS Number
- N/A
Storage & Shipping
- Storage
- Store at 0 to -20 °C.
- Shipping Conditions
- Ambient, Express Only
- Tariff Code (United States)
- 2938900000
Safety
Not a dangerous substance according to GHS.
Search Terms
IUPAC Name
(2S,3S,4S,5R,6R)-6-{(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-14-[(R)-3-Carboxy-1-methylpropyl]-8-ethyl-9-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-5-yloxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C32H52O10/c1-5-17-21-14-16(41-30-27(38)25(36)26(37)28(42-30)29(39)40)10-12-32(21,4)20-11-13-31(3)18(15(2)6-9-22(33)34)7-8-19(31)23(20)24(17)35/h15-21,23-28,30,35-38H,5-14H2,1-4H3,(H,33,34)(H,39,40)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25+,26+,27-,28+,30-,31-,32-/m1/s1
InChI Key
LUPCZPBQZKHSGM-QGDCDQHMSA-N
Smiles
C(=O)(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H]([C@@H]([C@@H]4C[C@@H](CC[C@@]4([C@H]3CC[C@]12C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)CC)O