| SpectraBase Spectrum ID |
LmVBPhbihlQ |
| Name |
7-Oxacholestane, (5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.354866100 u |
| Formula |
C26H46O |
| InChI |
InChI=1S/C26H46O/c1-18(2)9-8-10-19(3)21-12-13-22-24-23(14-16-26(21,22)5)25(4)15-7-6-11-20(25)17-27-24/h18-24H,6-17H2,1-5H3/t19-,20-,21-,22+,23+,24+,25+,26-/m1/s1 |
| InChIKey |
NAXKTPRPPZFSJL-PSIZNTPASA-N |
| Molecular Weight |
374.653 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(OC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824739 |
