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Substance Name: Yadanzioside E
RN: 95258-20-1
InChIKey: IZUDZNKPPXKFJY-TUKFUVRTSA-N

Molecular Formula

  • C32-H44-O16

Molecular Weight

  • 684.6836
 
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Names and Synonyms

Results Name

  • Yadanzioside E

Synonym

  • Yadanzioside E

Systematic Name

  • Picras-3-en-21-oic acid, 13,20-epoxy-3-(beta-D-glucopyranosyloxy)-1,11,12-trihydroxy-15-((3-methyl-1-oxy-2-butenyl)oxy)-16-oxo-, methyl ester, (1beta,11beta,12alpha,15beta)-

Registry Numbers

CAS Registry Number

  • 95258-20-1

System Generated Number

  • 0095258201

Structure Descriptors

InChI

1S/C32H44O16/c1-11(2)6-17(34)48-22-24-31-10-44-32(24,29(42)43-5)26(40)21(38)23(31)30(4)13(8-16(31)47-27(22)41)12(3)7-14(25(30)39)45-28-20(37)19(36)18(35)15(9-33)46-28/h6-7,13-16,18-26,28,33,35-40H,8-10H2,1-5H3/t13-,14+,15+,16+,18+,19-,20+,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1

InChIKey

IZUDZNKPPXKFJY-TUKFUVRTSA-N

Smiles

CC1=C[C@H]([C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H](C([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O