| SpectraBase Spectrum ID |
3afzRR2ntzQ |
| Name |
Methyl 3,7,15-Trioxo-5.beta.-cholan-24-oate |
| Alternate Name(s) |
Methyl (5beta)-3,7,15-trioxocholan-24-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O5 |
| InChI |
InChI=1S/C25H36O5/c1-14(5-6-21(29)30-4)18-13-20(28)23-22-17(8-10-25(18,23)3)24(2)9-7-16(26)11-15(24)12-19(22)27/h14-15,17-18,22-23H,5-13H2,1-4H3/t14-,15+,17+,18-,22+,23+,24+,25-/m1/s1 |
| InChIKey |
QTMASLCUTMBKSV-ICYDDNLHSA-N |
| Molecular Weight |
416.558 g/mol |
| SMILES |
C1(CC[C@]2([C@@](C1)(CC([C@]1([C@@]3(C(C[C@]([C@@](CCC(=O)OC)(C)[H])([C@@]3(C)CC[C@]21[H])[H])=O)[H])[H])=O)[H])C)=O |
| SPLASH |
splash10-0udi-0001900000-19bdec7b7fe5879c6bcb |
| Source of Spectrum |
E2-50-1332-17 |
| Wiley ID |
1555950 |
