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Sesamin

CAT: 1410-M15280-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M15280-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Extracted from Sesamum indicum L.
CAS Number
607-80-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
354.36
Molecular Formula
C20H18O6
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Sesamin

(+)-sesamin is a lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. It has a role as an antineoplastic agent, a neuroprotective agent and a plant metabolite. It is a lignan, a member of benzodioxoles and a furofuran.

CAS Number607-80-7
PubChem CID72307
IUPAC Name5-[(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
Molecular FormulaC20H18O6
Molecular Weight354.4
XLogP2.7
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity482
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
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-AFHBHXEDSA-N
Chemical Structure
2D Structure
2D structure of Sesamin
CAS: 607-80-7
CID: 72307
Formula: C20H18O6
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass354.11033829
Monoisotopic Mass354.11033829
Topological Polar Surface Area55.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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