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| CAS No.: | 607-80-7 |
|---|---|
| Name: | Sesamin |
| Molecular Structure: | |
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| Formula: | C20H18O6 |
| Molecular Weight: | 354.359 |
| Synonyms: | 1,3-Benzodioxole,5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, [1S-(1a,3aa,4a,6aa)]-;1H,3H-Furo[3,4-c]furan,tetrahydro-1,4-bis[3,4-(methylenedioxy)phenyl]-, (1S,3aR,4S,6aR)- (8CI);(+)-Sesamin;5,5'-(Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-1,3-benzodioxole;Fagarol;NSC 36403;Sesamin, (+)-;Sezamin;Tetrahydro-1,4-bis[3,4-(methylenedioxy)phenyl]-1H,3H-furo[3,4-c]furan;d-Sesamin; |
| Density: | 1.385 g/cm3 |
| Melting Point: | 122-124oC |
| Boiling Point: | 504.4 °C at 760 mmHg |
| Flash Point: | 212.3 °C |
| Appearance: | crystalline |
| Safety: | 22-24/25 |
| PSA: | 55.38000 |
| LogP: | 3.21920 |
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Specification
The Sesamin, also known as Episesamin, is the organic compound with the formula C20H18O6. This chemical belongs to the product categories of Natural Plant Extract; D5-Desaturase Arachidonic Acid Cascade; D to; Enzyme Inhibitors; Enzyme Inhibitors by Enzyme; Other. With the CAS registry number 607-80-7, its IUPAC name is called 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. When you are using this chemical, please be cautious about it. You should not breathe its dust. What's more, you must avoid contact with skin and eyes. It has been used as a dietary fat-reduction supplement, although no controlled studies on this application have been performed. Sesamin is a lignan isolated from the bark of Fagara plants and from sesame oil.
Physical properties of Sesamin: (1)ACD/LogP: 3.32; (2)ACD/LogD (pH 5.5): 3.32; (3)ACD/LogD (pH 7.4): 3.32; (4)ACD/BCF (pH 5.5): 197.93; (5)ACD/BCF (pH 7.4): 197.93; (6)ACD/KOC (pH 5.5): 1532.7; (7)ACD/KOC (pH 7.4): 1532.7; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.622; (11)Molar Refractivity: 90.14 cm3; (12)Molar Volume: 255.7 cm3; (13)Surface Tension: 61.3 dyne/cm; (14)Density: 1.385 g/cm3; (15)Flash Point: 212.3 °C; (16)Enthalpy of Vaporization: 74.45 kJ/mol; (17)Boiling Point: 504.4 °C at 760 mmHg; (18)Vapour Pressure: 8.38E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
(2)Isomeric SMILES: C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6
(3)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
(4)InChIKey: PEYUIKBAABKQKQ-AFHBHXEDSA-N