| SpectraBase Spectrum ID |
1xuG6ogMC88 |
| Name |
Cholestane-3,16,22-triol, 26-amino-, (3.beta.,5.alpha.,16.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.371244439 u |
| 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 |
C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@@](CC3)(C[C@](CC2)(O)[H])[H])[H])[H])(C[C@@]([C@@]1([C@@](C(CCC(CN)C)O)(C)[H])[H])(O)[H])[H] |
