| SpectraBase Spectrum ID |
1sfBkQxaMgJ |
| Name |
Methyl (20.XI.)-3.beta.-acetoxy-12,21-dioxo-5.beta.-chol-24-oate |
| CAS Registry Number |
125285-89-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O6 |
| InChI |
InChI=1S/C27H40O6/c1-16(29)33-19-11-12-26(2)18(13-19)6-7-20-22-9-8-21(17(15-28)5-10-25(31)32-4)27(22,3)24(30)14-23(20)26/h15,17-23H,5-14H2,1-4H3/t17-,18?,19-,20-,21+,22-,23-,26-,27+/m0/s1 |
| InChIKey |
UMYUWRYVNHGOGX-FFKGNPIKSA-N |
| Molecular Weight |
460.611 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2=O)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCC(=O)OC)(C=O)[H])[H])[H])C |
| SPLASH |
splash10-0089-0690300000-82da478e8eac31bc7e1d |
| Source of Spectrum |
F-45-3707-15 |
| Synonyms |
(3beta)-24-methoxy-12,21,24-trioxocholan-3-yl acetate |
| Wiley ID |
1390553 |
