| SpectraBase Spectrum ID |
1cGd1qD0wSs |
| Name |
Genipin 3TMS |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
442.202703924 u |
| Formula |
C20H38O5Si3 |
| InChI |
InChI=1S/C20H38O5Si3/c1-21-19(24-27(5,6)7)17-14-22-20(25-28(8,9)10)18-15(11-12-16(17)18)13-23-26(2,3)4/h11-12,18,20H,13-14H2,1-10H3/b19-17-/t18-,20+/m1/s1 |
| InChIKey |
PDOXJYWUMHIIFR-VZHBPTMRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
442.774 g/mol |
| Nominal Mass |
442 u |
| Quality |
1000 |
| Retention Index |
3065 |
| SMILES |
[C@@]12(C(\C(=C/(O[Si](C)(C)C)OC)CO[C@]2(O[Si](C)(C)C)[H])=CC=C1CO[Si](C)(C)C)[H] |
| SPLASH |
splash10-00di-4696000000-e02a113d9f6e5f7d2e83 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(((1S,4E,7aS)-4-(methoxy((trimethylsilyl)oxy)methylidene)-7-(((trimethylsilyl)oxy)methyl)-\r1,3,4,7a-tetrahydrocyclopenta[d]pyran-1-yl)oxy)(trimethyl)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032728 |
