Sesamin
Sesamin Structure
Systematic / IUPAC Name: [1S-(1α,3aα,4α,6aα)]-5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-1,3-benzodioxole
ID: Reference6863
Other Names:
(+)-Segamin;
(+)-Sesamin;
(1S,3aR,4S,6aR)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan;
1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (1S-(1α,3a α,4α,6a α))-;
1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)-
; more
Formula: C20H18O6
Spectral Data
Sesamin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 4514 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/25/2017 1:25:25 PM |
Identificators
| 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 |
| InChI Key | PEYUIKBAABKQKQ-AFHBHXEDSA-N |
| Canonical SMILES | C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
| CAS | 607807 |
| Splash | |
| Other Names |
(+)-Segamin; (+)-Sesamin; (1S,3aR,4S,6aR)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan; 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (1S-(1α,3a α,4α,6a α))-; 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)-; 5,5'-(1S,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(1,3-benzodioxole); Asarinin; D-(+)-Sesamin; Episesamin; Fagarol; Pseudocubebin; Sezamin; 5-[(3S,3aR,6S,6aR)-3-(1,3-Benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole |
In Other Databases
| KEGG | C10882 |
| ChemIDPlus | 000607807 |
| Wikipedia | Sesamin |
| ChEMBL | CHEMBL252915 |
| ChEBI | CHEBI:66470 |
| ChemSpider | 65258 |
| PubChem | 72307 |