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Substance Name: Sesamolin
RN: 526-07-8
UNII: 7A90TJ149G
InChIKey: ZZMNWJVJUKMZJY-AFHBHXEDSA-N

Note

  • Constituent of sesame oil; inhibits proliferation of human lymphocytic leukemia cells in culture.

Molecular Formula

  • C20-H18-O7

Molecular Weight

  • 370.3552
 
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Names and Synonyms

Name of Substance

  • Sesamolin

Synonyms

  • AI3-20978
  • UNII-7A90TJ149G

Systematic Name

  • 1,3-Benzodioxole, 5-(4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3a alpha,4alpha,6a alpha))-

Registry Numbers

CAS Registry Number

  • 526-07-8

FDA UNII

  • 7A90TJ149G

System Generated Number

  • 0000526078

Structure Descriptors

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-AFHBHXEDSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 93.5 deg C   EXP
log P (octanol-water) 3.490 (none)   EST
Atmospheric OH Rate Constant 2.37E-10 cm3/molecule-sec 25 EST

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