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Substance Name: Sesamoside
RN: 117479-87-5
InChIKey: XZVXEPPPQBLGMQ-HISQCTEXSA-N

Note

  • An iridoid glucoside; from Phlomis mongolica Turz.

Molecular Formula

  • C17-H24-O12

Molecular Weight

  • 420.3646
 
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Names and Synonyms

Name of Substance

  • Sesamoside

Synonym

  • 2-(beta-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid methyl ester. (1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-

Systematic Name

  • Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester. (1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 117479-87-5

System Generated Number

  • 0117479875

Structure Descriptors

InChI

1S/C17H24O12/c1-16-10-15(28-14-9(21)8(20)7(19)6(3-18)27-14)26-4-5(13(23)25-2)17(10,24)11(22)12(16)29-16/h4,6-12,14-15,18-22,24H,3H2,1-2H3/t6-,7-,8+,9-,10-,11-,12+,14+,15+,16-,17+/m1/s1

InChIKey

XZVXEPPPQBLGMQ-HISQCTEXSA-N

Smiles

C[C@@]12[C@H]3[C@@H](OC=C([C@]3([C@@H]([C@@H]1O2)O)O)C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O