| SpectraBase Compound ID | FBaxuDHFY5T |
|---|---|
| InChI | InChI=1S/C27H47NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-25,28-29H,5-16H2,1-4H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | ITXLZVVZOJDDNX-ZBOQGUEPSA-N |
| Mol Weight | 401.7 g/mol |
| Molecular Formula | C27H47NO |
| Exact Mass | 401.365765 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bdoa85DVSi3 |
|---|---|
| Name | (22r.25s)-22,26-epimino-5 alpha-cholestan-3 beta-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H47NO |
| InChI | InChI=1S/C27H47NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-25,28-29H,5-16H2,1-4H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | ITXLZVVZOJDDNX-ZBOQGUEPSA-N |
| Molecular Weight | 401.679 g/mol |
| SMILES | N1C[C@](CC[C@@]1([C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])C)[H])(C)[H])[H])(C)[H] |
| SPLASH | splash10-0002-9000000000-c7ec14aa1936f4f50c52 |
| Source of Spectrum | JX-2015-6-6673 |
| Synonyms | (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-((S)-1-((2R,5S)-5-methylpiperidin-2-yl)ethyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidinyl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1729432 |