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Substance Name: Amarogentin
RN: 21018-84-8
UNII: 5L82GT5I0W
InChIKey: DBOVHQOUSDWAPQ-WTONXPSSSA-N

Note

  • Secoiridoid glycoside.

Molecular Formula

  • C29-H30-O13

Molecular Weight

  • 586.543
 
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Names and Synonyms

Name of Substance

  • Amarogentin

Synonyms

  • 2-(4aS-(4aalpha,5beta,6alpha))-3,3',5-Trihydroxy-(1,1'-biphenyl)-2-carboxylate
  • UNII-5L82GT5I0W

Systematic Names

  • (1,1'-Biphenyl)-2-carboxylic acid, 3,3',5-trihydroxy-, 2-ester with 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one, (4aS-(4aalpha,5beta,6alpha))-
  • 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-((2-O-((3,3',5-trihydroxy(1,1'-biphenyl)-2-yl)carbonyl)-beta-D-glucopyranosyl)oxy)-, (4aS,5R,6S)-

Registry Numbers

CAS Registry Number

  • 21018-84-8

FDA UNII

  • 5L82GT5I0W

System Generated Number

  • 0021018848

Structure Descriptors

InChI

1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1

InChIKey

DBOVHQOUSDWAPQ-WTONXPSSSA-N

Smiles

C1OC(=O)C=2[C@@H]([C@@H](C=C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]([C@H]3OC(c3c(cc(cc3c3cccc(c3)O)O)O)=O)O)OC2)C1