| SpectraBase Spectrum ID |
6T3NbscR9r7 |
| Name |
A-Norcholestane, 5-chloro-3-methyl-, (3.beta.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.336629213 u |
| Formula |
C27H47Cl |
| InChI |
InChI=1S/C27H47Cl/c1-18(2)8-7-9-19(3)22-10-11-23-21-13-17-27(28)20(4)12-16-26(27,6)24(21)14-15-25(22,23)5/h18-24H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25-,26-,27-/m1/s1 |
| InChIKey |
TUGJXYQPDVVIFC-POBUXQGNSA-N |
| Molecular Weight |
407.126 g/mol |
| SMILES |
[C@]12([C@@](CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])([C@@](C)(CC1)[H])Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901926 |
