Details
methyl cholate 1448-36-8
InChIKey=DLYVTEULDNMQAR-WSHFDDBJSA-N
InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14?,15?,16-,17?,18?,19?,20-,21+,23?,24?,25?/m1/s1
C1C2C3(C(C[C@@H](CC3)O)C[C@H](C2C2C([C@H]1O)(C(CC2)C(CCC(=O)OC)C)C)O)C
C25H42O5 |
422.61 |
6.05 |
-5.67 |
0.95 |
3 |
5 |
3 |
5 |
11 |
5 |