| SpectraBase Spectrum ID |
3MG3nQYwjuV |
| Name |
Methyl ester of (3.alpha.,5.beta.,7.alpha.,12.alpha.)-12-hydroxy-3,7-bis(1-oxopropoxy)cholan-24-oic acid |
| CAS Registry Number |
55106-11-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H50O7 |
| InChI |
InChI=1S/C31H50O7/c1-7-26(33)37-20-13-14-30(4)19(15-20)16-24(38-27(34)8-2)29-22-11-10-21(18(3)9-12-28(35)36-6)31(22,5)25(32)17-23(29)30/h18-25,29,32H,7-17H2,1-6H3/t18-,19+,20-,21-,22+,23+,24-,25+,29+,30+,31-/m1/s1 |
| InChIKey |
XYJDLPQYGOZDNI-BBZXACAZSA-N |
| Molecular Weight |
534.734 g/mol |
| SMILES |
O[C@@]1([C@]2([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(C1)[H])(CC[C@@](OC(=O)CC)(C4)[H])C)[H])(OC(=O)CC)[H])[H])(CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-0v00-0079100000-874d759aa119f1fdcb88 |
| Source of Spectrum |
J-45-339-0 |
| Synonyms |
(3alpha,5beta,7alpha,12alpha)-12-hydroxy-24-methoxy-24-oxo-3-(propionyloxy)cholan-7-yl propionate |
| Wiley ID |
1403858 |
