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Substance Name: 7-Caffeoylloganin
RN: 139051-14-2
InChIKey: KIHORLJRBOKKJE-QWYKAIPVSA-N

Note

  • Iridoid glucoside from Cassinopsis madagascariensis.

Molecular Formula

  • C26-H32-O13

Molecular Weight

  • 552.526
 
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Names and Synonyms

Name of Substance

  • 7-Caffeoylloganin

Synonyms

  • Methyl (1S-(1alpha,4aalpha,6alpha(E),7alpha,7aalpha))-6-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta(c)pyran-4-carboxylate
  • Methyl 6-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta(c)pyran-4-carboxylate (1S-(1alpha,4aalpha,6alpha(E),7alpha,7aalpha))-

Systematic Name

  • Cyclopenta(c)pyran-4-carboxylic acid, 6-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,6alpha(E),7alpha,7aalpha))-

Registry Numbers

CAS Registry Number

  • 139051-14-2

System Generated Number

  • 0139051142

Structure Descriptors

InChI

1S/C26H32O13/c1-11-17(37-19(30)6-4-12-3-5-15(28)16(29)7-12)8-13-14(24(34)35-2)10-36-25(20(11)13)39-26-23(33)22(32)21(31)18(9-27)38-26/h3-7,10-11,13,17-18,20-23,25-29,31-33H,8-9H2,1-2H3/b6-4+/t11-,13+,17-,18-,20+,21-,22+,23-,25-,26+/m1/s1

InChIKey

KIHORLJRBOKKJE-QWYKAIPVSA-N

Smiles

C=1([C@H]2[C@@H]([C@H](OC1)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@@H]([C@@H](C2)OC(\C=C\c1cc(c(cc1)O)O)=O)C)C(=O)OC