| SpectraBase Spectrum ID |
G2yFzg76iDy |
| Name |
Cholestan-11-one, (5.alpha.,14.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.354866100 u |
| Formula |
C27H46O |
| InChI |
InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)22-14-15-23-21-13-12-20-11-6-7-16-26(20,4)25(21)24(28)17-27(22,23)5/h18-23,25H,6-17H2,1-5H3/t19-,20-,21+,22-,23-,25-,26+,27-/m1/s1 |
| InChIKey |
UVQLQNWMLPIROZ-BYBPFRLTSA-N |
| Molecular Weight |
386.664 g/mol |
| SMILES |
[C@@]12([C@@]([C@@]3(CC[C@@]4([C@]([C@]3(C(C2)=O)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870714 |
