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Substance Name: Sesamin
RN: 607-80-7
UNII: S7946O4P76
InChIKey: PEYUIKBAABKQKQ-AFHBHXEDSA-N

Note

  • Constituent of sesame oil; episesamin is an epimer of sesamin.

Molecular Formula

  • C20-H18-O6

Molecular Weight

  • 354.3562
 

Classification Codes

  • Anticholesteremic Agents
  • Antihypertensive Agents
  • Antilipemic Agents
  • Antimetabolites
  • Antioxidants
  • Cardiovascular Agents
  • Hypolipidemic Agents
  • Lipid Regulating Agents
  • Protective Agents
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Names and Synonyms

Name of Substance

  • Sesamin

Synonyms

  • (+)-Sesamin
  • AI3-00811
  • Asarinin
  • D-(+)-Sesamin
  • d-Sesamin
  • Episesamin
  • Fagarol
  • NSC 36403
  • Sezamin
  • UNII-S7946O4P76

Systematic Names

  • 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (1S-(1alpha,3a alpha,4alpha,6a alpha))-
  • 1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4-(methylenedioxy)phenyl)-, (1S,3aR,4S,6aR)- (8CI)

Registry Numbers

CAS Registry Number

  • 607-80-7

FDA UNII

  • S7946O4P76

Other Registry Number

  • 10590-92-8

System Generated Number

  • 0000607807

Structure Descriptors

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

Smiles

C1Oc2ccc(cc2O1)[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4c5ccc6OCOc6c5

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 124 deg C   EXP
log P (octanol-water) 3.450 (none)   EST
Atmospheric OH Rate Constant 1.29E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.