SpectraBase Spectrum ID |
H1SFFuAd3lV |
Name |
Cholest-5-en-19-al, 3-(acetyloxy)-, (3.beta.)- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
442.344695338 u |
Formula |
C29H46O3 |
InChI |
InChI=1S/C29H46O3/c1-19(2)7-6-8-20(3)25-11-12-26-24-10-9-22-17-23(32-21(4)31)13-16-29(22,18-30)27(24)14-15-28(25,26)5/h9,18-20,23-27H,6-8,10-17H2,1-5H3 |
InChIKey |
FGMFMYIBGXDVFC-UHFFFAOYSA-N |
Molecular Weight |
442.684 g/mol |
SMILES |
C(=O)[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])[H])(CC=C2C[C@](CC1)(OC(C)=O)[H])[H])[H] |