| SpectraBase Spectrum ID |
8KJXTOxl9Bw |
| Name |
Gomisin N |
| CAS Registry Number |
69176-52-9 |
| Classification |
Anti-allergic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
400.188588616 u |
| Formula |
C23H28O6 |
| InChI |
InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1 |
| InChIKey |
RTZKSTLPRTWFEV-OLZOCXBDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
400.471 g/mol |
| Nominal Mass |
400 u |
| Quality |
980 |
| Retention Index |
2983 |
| SMILES |
C=12C3=C(C(=C(C=C3C[C@]([C@](CC1C=C1C(=C2OC)OCO1)(C)[H])(C)[H])OC)OC)OC |
| SPLASH |
splash10-0udi-2695600000-b30076665f8bea19040b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]\rbenzo[1,2-d][1,3]dioxole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032636 |
