| SpectraBase Spectrum ID |
4jwVzCWMwvQ |
| Name |
16-Deoxo-5,6-dihydrokryptogenin diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.365824705 u |
| Formula |
C31H50O5 |
| InChI |
InChI=1S/C31H50O5/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/h19-20,23-28H,7-18H2,1-6H3 |
| InChIKey |
CNDJSMMNNLHLPQ-UHFFFAOYSA-N |
| Molecular Weight |
502.736 g/mol |
| SMILES |
C1CC(C(C(CCC(COC(C)=O)C)=O)C)C2(C1C1C(C3(C(CC1)CC(OC(C)=O)CC3)C)CC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964526 |
