-3.beta.methyl-5.alpha.-cholestane](/api/spectrum/3ySZ2vW0D04/structure.png?h=300&w=458 "5'.beta.-Chloro-2'-oxopyrrolono[3',4':2,3](2R)-3.beta.methyl-5.alpha.-cholestane")
| SpectraBase Compound ID | 1kZfqE4bG49 |
|---|---|
| InChI | InChI=1S/C30H50ClNO/c1-18(2)8-7-9-19(3)22-12-13-23-21-11-10-20-16-30(6)25(26(33)32-27(30)31)17-29(20,5)24(21)14-15-28(22,23)4/h18-25,27H,7-17H2,1-6H3,(H,32,33)/t19-,20?,21+,22-,23+,24+,25+,27+,28-,29+,30+/m1/s1 |
| InChIKey | WLEULXXCDOQPSE-NVTYHAPNSA-N |
| Mol Weight | 476.2 g/mol |
| Molecular Formula | C30H50ClNO |
| Exact Mass | 475.358093 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ySZ2vW0D04 |
|---|---|
| Name | 5'.beta.-Chloro-2'-oxopyrrolono[3',4':2,3](2R)-3.beta.methyl-5.alpha.-cholestane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50ClNO |
| InChI | InChI=1S/C30H50ClNO/c1-18(2)8-7-9-19(3)22-12-13-23-21-11-10-20-16-30(6)25(26(33)32-27(30)31)17-29(20,5)24(21)14-15-28(22,23)4/h18-25,27H,7-17H2,1-6H3,(H,32,33)/t19-,20?,21+,22-,23+,24+,25+,27+,28-,29+,30+/m1/s1 |
| InChIKey | WLEULXXCDOQPSE-NVTYHAPNSA-N |
| Molecular Weight | 476.189 g/mol |
| SMILES | N1C([C@]2([C@@]([C@]1(Cl)[H])(CC1[C@](C2)([C@]2(CC[C@@]3([C@](CC[C@]3([C@@]2(CC1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)C)[H])=O |
| SPLASH | splash10-01x9-6190800000-72ca00f2dcb7932e9276 |
| Source of Spectrum | F-62-1077-23 |
| Wiley ID | 1632116 |