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Substance Name: O-rhamnosyl--(1''-4')-14'-hydroxywedeloside
RN: 131862-38-9
InChIKey: HSOPLEIUXGFKIB-KJAVYXPRSA-N

Note

  • Toxic extract from Wedelia asperrima.

Molecular Formula

  • C46-H65-N-O18

Molecular Weight

  • 920.0085
 
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Names and Synonyms

Name of Substance

  • O-rhamnosyl--(1''-4')-14'-hydroxywedeloside

Synonyms

  • (2beta,15alpha)-2-((2-Deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-3-O-(3-hydroxy-1-oxo-3-phenylpropyl)-2-((3-methyl-1-oxobutyl)amino)-beta-D-glucopyranosyl)oxy)-13,15-dihydroxykaur-16-ene-18,19-dioic acid
  • 2-((2-Deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-3-O-(3-hydroxy-1-oxo-3-phenylpropyl)-2-((3-methyl-1-oxobutyl)amino)-beta-D-glucopyranosyl)oxy)-13,15-dihydroxykaur-16-ene-18,19-dioic acid (2beta,15alpha)-
  • RHHWE

Systematic Name

  • Kaur-16-ene-18,19-dioic acid, 2-((2-deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-3-O-(3-hydroxy-1-oxo-3-phenylpropyl)-2-((3-methyl-1-oxobutyl)amino)-beta-D-glucopyranosyl)oxy)-13,15-dihydroxy-, (2beta,15alpha)-

Registry Numbers

CAS Registry Number

  • 131862-38-9

System Generated Number

  • 0131862389

Structure Descriptors

InChI

1S/C46H65NO18/c1-21-36(54)44-14-12-28-43(6,27(44)13-15-45(21,60)20-44)17-24(18-46(28,40(56)57)41(58)59)62-37-30(47-39(55)42(3,4)5)35(64-29(50)16-25(49)23-10-8-7-9-11-23)34(26(19-48)63-37)65-38-33(53)32(52)31(51)22(2)61-38/h7-11,22,24-28,30-38,48-49,51-54,60H,1,12-20H2,2-6H3,(H,47,55)(H,56,57)(H,58,59)/t22-,24-,25?,26+,27-,28-,30+,31-,32+,33+,34+,35+,36-,37+,38-,43-,44?,45-/m0/s1

InChIKey

HSOPLEIUXGFKIB-KJAVYXPRSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)CC(c3ccccc3)O)NC(=O)C(C)(C)C)O[C@H]4C[C@]5([C@@H]6CC[C@@]7(CC6(CC[C@@H]5C(C4)(C(=O)O)C(=O)O)[C@H](C7=C)O)O)C)CO)O)O)O