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Substance Name: Yadanzioside N
RN: 101560-01-4
InChIKey: YSFALLIAQRJCQF-NBRUIBBHSA-N

Molecular Formula

  • C34-H46-O16

Molecular Weight

  • 710.7214
 
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Names and Synonyms

Results Name

  • Yadanzioside N

Synonym

  • Yadanzioside N

Systematic Name

  • Picras-2-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))-

Registry Numbers

CAS Registry Number

  • 101560-01-4

System Generated Number

  • 0101560014

Structure Descriptors

InChI

1S/C34H46O16/c1-12(2)13(3)8-19(36)50-24-26-33-11-46-34(26,31(44)45-6)28(42)23(40)25(33)32(5)15(9-18(33)49-29(24)43)14(4)7-16(27(32)41)47-30-22(39)21(38)20(37)17(10-35)48-30/h7-8,12,14-15,17-18,20-26,28,30,35,37-40,42H,9-11H2,1-6H3/b13-8+/t14-,15+,17-,18-,20-,21+,22-,23-,24?,25-,26-,28?,30-,32+,33-,34+/m1/s1

InChIKey

YSFALLIAQRJCQF-NBRUIBBHSA-N

Smiles

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