| SpectraBase Spectrum ID |
2kNrShABmWO |
| Name |
Sesamolin |
| CAS Registry Number |
526-07-8 |
| 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 |
370.105252913 u |
| Formula |
C20H18O7 |
| InChI |
InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20?/m0/s1 |
| InChIKey |
ZZMNWJVJUKMZJY-USWSZDBUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
370.357 g/mol |
| Nominal Mass |
370 u |
| Quality |
977 |
| Retention Index |
3208 |
| SMILES |
[C@@]12([C@@](C(OC2)OC=2C=C3C(=CC2)OCO3)(CO[C@@]1(C=1C=C2C(=CC1)OCO2)[H])[H])[H] |
| SPLASH |
splash10-000i-2920000000-454681f6a03985e78f09 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-[(1S,3aR,4R,6aR)-4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]fur-1-yl]-1,3-benzodioxol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024466 |
