| SpectraBase Compound ID | 76PZePhbci |
|---|---|
| InChI | InChI=1S/C31H49NO8/c1-5-37-28(36)14-21(32)7-6-19(2)23-8-9-24-29-25(15-27(40-18-35)31(23,24)4)30(3)11-10-22(38-16-33)12-20(30)13-26(29)39-17-34/h16-27,29H,5-15,32H2,1-4H3/t19-,20+,21?,22-,23-,24+,25+,26-,27+,29+,30+,31-/m1/s1 |
| InChIKey | CNYBGZWYZFRBEY-GVFFDKHPSA-N |
| Mol Weight | 563.7 g/mol |
| Molecular Formula | C31H49NO8 |
| Exact Mass | 563.345818 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FgWGWlkoVE6 |
|---|---|
| Name | Ethyl 24-amino-3.alpha.,7.alpha.,12.alpha.-triformyroxy-27-nor-5.beta.-cholestan-26-oate |
| Appearance | Colorless amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H49NO8 |
| InChI | InChI=1S/C31H49NO8/c1-5-37-28(36)14-21(32)7-6-19(2)23-8-9-24-29-25(15-27(40-18-35)31(23,24)4)30(3)11-10-22(38-16-33)12-20(30)13-26(29)39-17-34/h16-27,29H,5-15,32H2,1-4H3/t19-,20+,21?,22-,23-,24+,25+,26-,27+,29+,30+,31-/m1/s1 |
| InChIKey | CNYBGZWYZFRBEY-GVFFDKHPSA-N |
| Instrument Name | Micromass Auto Spec 3000 |
| Ionization Type | EI |
| Molecular Weight | 563.732 g/mol |
| Reported Formula | C31H46O9 |
| SMILES | NC(CC[C@]([C@@]1([C@]2([C@](C[C@@]3([C@@]4([C@](C[C@]([C@]3([C@@]2(CC1)[H])[H])(OC=O)[H])(C[C@@](CC4)(OC=O)[H])[H])C)[H])(OC=O)[H])C)[H])(C)[H])CC(=O)OCC |
| SPLASH | splash10-014i-0900010000-3333cb3751c80fcdd84b |
| Source of Spectrum | JP2010261871A |
| Wiley ID | 1844019 |