| SpectraBase Spectrum ID |
6CytOHj4wHq |
| Name |
Methyl 3.alpha.-Benzoyloxy-12-keto-5.beta.-cholan-24-oate |
| Alternate Name(s) |
(3alpha,5beta)-24-methoxy-12,24-dioxocholan-3-yl benzoate
Methyl 3.alpha.-Benzyloxy-12-keto-5.beta.-cholan-24-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H44O5 |
| InChI |
InChI=1S/C32H44O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(37-30(35)21-8-6-5-7-9-21)16-17-31(22,2)27(24)19-28(33)32(25,26)3/h5-9,20,22-27H,10-19H2,1-4H3/t20?,22-,23-,24+,25-,26+,27+,31+,32-/m1/s1 |
| InChIKey |
IHSLYRNKWRVRNA-LQGFWETESA-N |
| Molecular Weight |
508.699 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2=O)[H])(CC[C@@](OC(=O)c2ccccc2)(C4)[H])C)[H])[H])(CC[C@@]1(C(CCC(=O)OC)C)[H])[H])C |
| SPLASH |
splash10-001r-0094030000-364c8a44fba406cfd8bd |
| Source of Spectrum |
F-54-11919-23 |
| Wiley ID |
809047 |
