| SpectraBase Spectrum ID |
JqKMWgRUwir |
| Name |
21.xi-Methyl-17-isocholest-5-en-3,16-diol diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.370910086 u |
| Formula |
C31H50O4 |
| InChI |
InChI=1S/C31H50O4/c1-19(2)9-8-10-20(3)29-28(35-22(5)33)18-27-25-12-11-23-17-24(34-21(4)32)13-15-30(23,6)26(25)14-16-31(27,29)7/h11,19-20,24-29H,8-10,12-18H2,1-7H3 |
| InChIKey |
RJMOZCXAAGIDNA-UHFFFAOYSA-N |
| Molecular Weight |
486.737 g/mol |
| SMILES |
C1(CCC2(C(C1)=CCC1C2CCC2(C1CC(C2C(CCCC(C)C)C)OC(C)=O)C)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9342 |
