| SpectraBase Spectrum ID |
C0mGiMvzLLM |
| Name |
Ethyl 3.beta.-acetoxy-5.alpha.-hydroxy-24-nor-cholan-23-oate |
| Alternate Name(s) |
Ethyl (3R)-3-[(1S,2R,5S,7R,10S,11S,14R,15R)-5-(acetyloxy)-7-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]butanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O5 |
| InChI |
InChI=1S/C27H44O5/c1-6-31-24(29)15-17(2)21-7-8-22-20-10-14-27(30)16-19(32-18(3)28)9-13-26(27,5)23(20)11-12-25(21,22)4/h17,19-23,30H,6-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,25-,26-,27-/m1/s1 |
| InChIKey |
XSOYOVUKTHNAQJ-YKSZAJCSSA-N |
| Molecular Weight |
448.644 g/mol |
| SMILES |
O[C@@]12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CC(=O)OCC)(C)[H])[H])[H])C)[H])(CC[C@](OC(=O)C)(C1)[H])C |
| SPLASH |
splash10-001i-0001900000-f16b5d65d8ef98c3d312 |
| Source of Spectrum |
X4-19-183-0 |
| Wiley ID |
1585621 |
