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Substance Name: Gentiopicroside
RN: 21233-18-1
InChIKey: UZYZCCWBBBCDAD-YRLKQETISA-N

Molecular Formula

  • C29-H30-O14

Molecular Weight

  • 602.542
 
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Names and Synonyms

Results Name

  • Gentiopicroside

Synonym

  • Gentiopicroside

Systematic Name

  • (1,1'-Biphenyl)-2-carboxylic acid, 3,3',5-trihydroxy-, 2-ester with 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy-1H,3H-pyrano(3,4-c)pyran-1-one, (4aR-(4aalpha,5beta,6alpha))-

Registry Numbers

CAS Registry Number

  • 21233-18-1

System Generated Number

  • 0021233181

Structure Descriptors

InChI

1S/C29H30O14/c1-2-17-27(40-12-18-25(36)39-7-6-29(17,18)38)43-28-24(23(35)22(34)20(11-30)41-28)42-26(37)21-16(9-15(32)10-19(21)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,17,20,22-24,27-28,30-35,38H,1,6-7,11H2/t17-,20+,22+,23-,24+,27?,28-,29+/m0/s1

InChIKey

UZYZCCWBBBCDAD-YRLKQETISA-N

Smiles

C=C[C@H]1C(OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)c4c(cc(cc4O)O)c5cccc(c5)O