| SpectraBase Spectrum ID |
4z5ZA4lfa4Y |
| Name |
Cholest-24-one, 4,14-dimethyl-, (4.alpha.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.386166229 u |
| Formula |
C29H50O |
| InChI |
InChI=1S/C29H50O/c1-19(2)26(30)13-10-21(4)23-14-17-29(7)25-12-11-22-20(3)9-8-16-27(22,5)24(25)15-18-28(23,29)6/h19-25H,8-18H2,1-7H3/t20-,21-,22+,23-,24+,25-,27+,28-,29+/m1/s1 |
| InChIKey |
PYYOEQZGTHCYTO-WOCYGNIHSA-N |
| Molecular Weight |
414.718 g/mol |
| SMILES |
[C@]12([C@@]([C@@]([C@@](CCC(=O)C(C)C)(C)[H])(CC2)[H])(CC[C@@]2([C@]3(CCC[C@]([C@@]3(CC[C@@]12[H])[H])(C)[H])C)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951436 |
