| SpectraBase Spectrum ID |
GfBJUK9Yogy |
| Name |
3-Dehydro-des-N-26-methyl-dihydro-pseudotomatidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.349780719 u |
| Formula |
C28H46O2 |
| InChI |
InChI=1S/C28H46O2/c1-6-17(2)7-10-24-18(3)26-25(30-24)16-23-21-9-8-19-15-20(29)11-13-27(19,4)22(21)12-14-28(23,26)5/h15,17-19,21-26,29H,6-14,16H2,1-5H3 |
| InChIKey |
OTRUWVHSYNWISO-UHFFFAOYSA-N |
| Molecular Weight |
414.674 g/mol |
| SMILES |
C=1(O)CCC2(C)C(C1)CCC1C2CCC2(C)C3C(OC(CCC(C)CC)C3C)CC12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945816 |
