| SpectraBase Spectrum ID |
Fo88QhfnadM |
| Name |
24-Norcholan-23-oic acid, 3,11-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,11.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.313789131 u |
| Formula |
C28H44O6 |
| InChI |
InChI=1S/C28H44O6/c1-16(13-25(31)32-6)22-9-10-23-21-8-7-19-14-20(33-17(2)29)11-12-27(19,4)26(21)24(34-18(3)30)15-28(22,23)5/h16,19-24,26H,7-15H2,1-6H3/t16-,19-,20-,21+,22?,23+,24-,26-,27+,28-/m1/s1 |
| InChIKey |
DHBATPUEVALGSS-GCFLPIGJSA-N |
| Molecular Weight |
476.654 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3([C@@](C2)(OC(=O)C)[H])[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])[H])(CCC1[C@@](CC(=O)OC)(C)[H])[H])C |
