| SpectraBase Spectrum ID |
KQx8otOXvdN |
| Name |
Methyl (20S)-3.beta.-Acetoxy-5.alpha.-cholanate |
| Alternate Name(s) |
(3beta,5alpha,20S)-24-methoxy-24-oxocholan-3-yl acetate |
| CAS Registry Number |
1178-02-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O4 |
| InChI |
InChI=1S/C27H44O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17,19-24H,6-16H2,1-5H3/t17-,19-,20-,21-,22+,23-,24-,26-,27+/m0/s1 |
| InChIKey |
DVIUCIPCTDVQAP-YIPQGILZSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@](CCC(=O)OC)(C)[H])[H])[H])C |
| SPLASH |
splash10-06dm-9873000000-bc0af8ec35deabf20d9a |
| Source of Spectrum |
J-43-1446-0 |
| Wiley ID |
1382463 |
