| SpectraBase Spectrum ID |
J0bjroBkWLq |
| Name |
5-Cholestene-3.beta.,26-diol-22-one diacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.350174641 u |
| Formula |
C31H48O5 |
| InChI |
InChI=1S/C31H48O5/c1-19(18-35-21(3)32)7-12-29(34)20(2)26-10-11-27-25-9-8-23-17-24(36-22(4)33)13-15-30(23,5)28(25)14-16-31(26,27)6/h8,19-20,24-28H,7,9-18H2,1-6H3 |
| InChIKey |
JTUNARFPLCFURF-UHFFFAOYSA-N |
| Molecular Weight |
500.720 g/mol |
| SMILES |
C1(CCC2(C(C1)=CCC1C2CCC2(C1CCC2C(C)C(CCC(COC(C)=O)C)=O)C)C)OC(C)=O |
