奥贝胆酸，Obeticholic Acid [6-ECDCA, OCA]；≥98% (HPLC)

质量水平

100

检测方案

≥98% (HPLC)

形式

powder

旋光性

[α]/D +4 to +6°, c = 1.0 in methanol

颜色

white to beige

溶解性

DMSO: 2 mg/mL, clear

储存温度

2-8°C

SMILES string

C[C@@H]([C@@]1([H])CC[C@@]([H])([C@@]2([C@@H]([C@@H]([C@@]3(C[C@@H](CC[C@@]3([C@]2(CC4)[H])C)O)[H])CC)O)[H])[C@@]14C)CCC(O)=O

InChI

1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1

InChI key

ZXERDUOLZKYMJM-ZWECCWDJSA-N