| SpectraBase Spectrum ID |
8Zw9KfVqKbV |
| Name |
Cholan-24-oic acid, 7-(acetyloxy)-3-oxo-, methyl ester, (5.beta.,7.beta.)- |
| CAS Registry Number |
60354-41-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O5 |
| InChI |
InChI=1S/C27H42O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(29)14-18(26)15-23(25)32-17(2)28/h16,18,20-23,25H,6-15H2,1-5H3/t16-,18+,20-,21+,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey |
UPOYUESDHPCGRO-YCMNWHDYSA-N |
| Molecular Weight |
446.628 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3([C@](C[C@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(OC(=O)C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C |
| SPLASH |
splash10-107j-0931000000-bfeaba0ebea95af429d2 |
| Source of Spectrum |
W5-35421-30115-30115 |
| Synonyms |
(5beta,7beta)-24-methoxy-3,24-dioxocholan-7-yl acetate |
| Wiley ID |
1386733 |
