| SpectraBase Compound ID | HHmjnl5WR79 |
|---|---|
| InChI | InChI=1S/C27H49NO3/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29-31H,5-15,28H2,1-4H3 |
| InChIKey | TVHHQIQXNCJHDO-UHFFFAOYSA-N |
| Mol Weight | 435.7 g/mol |
| Molecular Formula | C27H49NO3 |
| Exact Mass | 435.371244 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KDHKqHSd9DM |
|---|---|
| Name | Cholestane-3,16,22-triol, 26-amino-, (3.beta.,5.alpha.,16.beta.)- |
| CAS Registry Number | 50686-94-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H49NO3 |
| InChI | InChI=1S/C27H49NO3/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29-31H,5-15,28H2,1-4H3 |
| InChIKey | TVHHQIQXNCJHDO-UHFFFAOYSA-N |
| Molecular Weight | 435.693 g/mol |
| SMILES | OC1CC2C(C3C(C4C(C(C(C(CCC(CN)C)O)C)C(C4)O)(C)CC3)CC2)(C)CC1 |
| SPLASH | splash10-0007-0955300000-e475c64b3741b90a5fcc |
| Source of Spectrum | DO-0-96-6 |
| Synonyms | 26-Aminocholestane-3,16,22-triol 17-(6-amino-2-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol 17-(7-amino-3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol 17-(7-azanyl-6-methyl-3-oxidanyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol |
| Wiley ID | 1383294 |