| SpectraBase Spectrum ID |
EFdZLuwD6ue |
| Name |
Methyl (3R,4R,5R,11S)-2-acetoxy-1,4:3,5-diepoxy-1,2-secoeudesman-13-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.188588616 u |
| Formula |
C18H28O6 |
| InChI |
InChI=1S/C18H28O6/c1-11(15(20)21-5)13-6-7-16(3)10-23-17(4)14(9-22-12(2)19)24-18(16,17)8-13/h11,13-14H,6-10H2,1-5H3/t11-,13+,14+,16-,17+,18+/m0/s1 |
| InChIKey |
BSHBDBOOJXIMST-ILGLWPRSSA-N |
| Molecular Weight |
340.416 g/mol |
| SMILES |
[C@@]123[C@@](OC[C@@]3(CC[C@](C1)([C@@](C(=O)OC)(C)[H])[H])C)(C)[C@](O2)(COC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912049 |
