| SpectraBase Spectrum ID |
Dl7v8TixAKu |
| Name |
Andrographolide 3TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
566.327904439 u |
| Formula |
C29H54O5Si3 |
| InChI |
InChI=1S/C29H54O5Si3/c1-21-13-16-25-28(2,23(21)15-14-22-24(19-31-27(22)30)33-36(7,8)9)18-17-26(34-37(10,11)12)29(25,3)20-32-35(4,5)6/h14,23-26H,1,13,15-20H2,2-12H3/b22-14+/t23-,24-,25+,26-,28+,29+/m1/s1 |
| InChIKey |
HKLCOWZNQKEJHG-OPTSXGNASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
567.001 g/mol |
| Nominal Mass |
566 u |
| Quality |
973 |
| Retention Index |
4034 |
| SMILES |
[C@]12([C@@]([C@@]([C@@](CC2)(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)C)(CCC([C@]1(C\C=C/1[C@@](COC1=O)(O[Si](C)(C)C)[H])[H])=C)[H])C |
| SPLASH |
splash10-00di-5942100000-6f1713bb313cf5cd2faf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3E,4S)-3-(2-((1R,4aS,5R,6R,8aS)-5,8a-dimethyl-2-methylidene-6-((trimethylsilyl)oxy)-5-\r(((trimethylsilyl)oxy)methyl)decahydronaphthalen-1-yl)ethylidene)-4-((trimethylsilyl)oxy)oxolan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014011 |
