SpectraBase Spectrum ID |
8T4fzJTx4tj |
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 |
975 |
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-1900000000-03605228f2eb17dac3ef |
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_024467 |