| SpectraBase Spectrum ID |
DlTMYnFtbea |
| Name |
Sesamin |
| CAS Registry Number |
607-80-7 |
| Classification |
Lignan of sesame oil |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
354.110338294 u |
| Formula |
C20H18O6 |
| InChI |
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19?,20?/m0/s1 |
| InChIKey |
PEYUIKBAABKQKQ-NILVNCKXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
354.358 g/mol |
| Nominal Mass |
354 u |
| Quality |
889 |
| Retention Index |
2756 |
| SMILES |
[C@@]12([C@@](C(C3=CC4=C(C=C3)OCO4)OC2)(COC1C1=CC2=C(C=C1)OCO2)[H])[H] |
| SPLASH |
splash10-0f6t-1900000000-b0daa1e701b156d7fe5d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5,5'-(1S,3aR,4S,6aR)Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(1,3-benzodioxole) |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030243 |
![5-[(3aR,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole](/api/spectrum/DlTMYnFtbea/structure.png?h=300&w=458 "5-[(3aR,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole")
