SpectraBase Spectrum ID |
K1wHxGtT1nj |
Name |
Stigmastanol, isovalerate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
500.459331170 u |
Formula |
C34H60O2 |
InChI |
InChI=1S/C34H60O2/c1-9-25(23(4)5)11-10-24(6)29-14-15-30-28-13-12-26-21-27(36-32(35)20-22(2)3)16-18-33(26,7)31(28)17-19-34(29,30)8/h22-31H,9-21H2,1-8H3 |
InChIKey |
UUXOWLBLCKOLFR-UHFFFAOYSA-N |
Molecular Weight |
500.852 g/mol |
SMILES |
C1CC2(C(CC1OC(CC(C)C)=O)CCC1C2CCC2(C1CCC2C(CCC(CC)C(C)C)C)C)C |