Catalogue Number: BD540
Obeticholic acid acyl-β-D-glucuronide
6-Ethylchenodeoxycholic acid acyl-β-D-glucuronide, 1-[(3α,5β,6α,7α)-6-Ethyl-3,7-dihydroxycholan-24-oate] β-D-glucopyranosiduronic acid
Categories
Properties
- CAS Number
- N/A
- Molecular Formula
- C32H52O10
- Molecular Weight
- 596.75
- Chemical Purity
- Min. 95% [HPLC-ELSD]
- Appearance
- White Crystalline Solid
- Melting Point
- 136-140 °C
- Solubility
- DMSO, MeOH
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.
Avoid basic solutions. - Shipping Conditions
- Ambient, Express Only
- Tariff Code (United States)
- 2938900000
Safety
Not a dangerous substance according to GHS.
Related Products
BD973
Obeticholic acid 3-O-β-D-glucuronide
Search Terms
IUPAC Name
(2S,3S,4S,5R,6S)-6-[(R)-4-{(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-Ethyl-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-14-yl}valeroxy]-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C32H52O10/c1-5-17-21-14-16(33)10-12-32(21,4)20-11-13-31(3)18(7-8-19(31)23(20)24(17)35)15(2)6-9-22(34)41-30-27(38)25(36)26(37)28(42-30)29(39)40/h15-21,23-28,30,33,35-38H,5-14H2,1-4H3,(H,39,40)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25+,26+,27-,28+,30-,31-,32-/m1/s1
InChI Key
OFFXOXBHRHNNRE-QGDCDQHMSA-N
Smiles
C(C)[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]2CC[C@@]3([C@H](CC[C@H]3[C@@H]2[C@@H]1O)[C@@H](CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C)C)C)O