| SpectraBase Spectrum ID |
InJRxhQI6tS |
| Name |
Cholan-24-oic acid, 3,7,23-tris(acetyloxy)-, methyl ester, (3.alpha.,7.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
548.334918498 u |
| Formula |
C31H48O8 |
| InChI |
InChI=1S/C31H48O8/c1-17(14-27(29(35)36-7)39-20(4)34)23-8-9-24-28-25(11-13-31(23,24)6)30(5)12-10-22(37-18(2)32)15-21(30)16-26(28)38-19(3)33/h17,21-28H,8-16H2,1-7H3 |
| InChIKey |
KFBPPYZLDBAKJI-UHFFFAOYSA-N |
| Molecular Weight |
548.717 g/mol |
| SMILES |
C(O[C@]1([C@@]2([C@@]([C@@]3(C(C1)C[C@](OC(C)=O)(CC3)[H])C)(CC[C@]1([C@]2(CC[C@@]1([C@@](CC(C(OC)=O)OC(C)=O)(C)[H])[H])[H])C)[H])[H])[H])(C)=O |
