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Substance Name: Vomifoliol 9-O-glucopyranosyl-4-O-xylopyranosyl-6-O-glucopyranoside
RN: 141947-49-1
InChIKey: FSMCENROPHFZLO-MANJNOIDSA-N

Note

  • Isolated from apple fruit pulp.

Molecular Formula

  • C30-H48-O17

Molecular Weight

  • 680.6922
 
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Names and Synonyms

Name of Substance

  • Vomifoliol 9-O-glucopyranosyl-4-O-xylopyranosyl-6-O-glucopyranoside

Synonym

  • Vomifoliol-glu-xyl-glu

Systematic Name

  • 2-Cyclohexen-1-one, 4-(3-((O-beta-D-glucopyranosyl-(1-4)-O-beta-D-xylopyranosyl-(1-6)-beta-D-glucopyranosyl)oxy)-1-butenyl)-4-hydroxy-3,5,5-trimethyl-, (R-(R*,S*-(E)))-

Registry Numbers

CAS Registry Number

  • 141947-49-1

System Generated Number

  • 0141947491

Structure Descriptors

InChI

1S/C30H48O17/c1-12-7-14(33)8-29(3,4)30(12,41)6-5-13(2)43-28-25(47-26-22(39)18(35)15(34)11-42-26)24(20(37)17(10-32)45-28)46-27-23(40)21(38)19(36)16(9-31)44-27/h5-7,13,15-28,31-32,34-41H,8-11H2,1-4H3/b6-5+/t13-,15+,16+,17+,18-,19+,20+,21-,22+,23+,24-,25+,26-,27-,28+,30-/m0/s1

InChIKey

FSMCENROPHFZLO-MANJNOIDSA-N

Smiles

CC1=CC(=O)CC([C@@]1(/C=C/[C@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)(C)C