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Substance Name: Oleoechinacoside
RN: 122960-94-5
InChIKey: NCWSNEBSZYXCJE-NPKICSMLSA-N

Molecular Formula

  • C52-H68-O30

Molecular Weight

  • 1173.08
 
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Names and Synonyms

Results Name

  • Oleoechinacoside

Synonym

  • Oleoechinacoside

Systematic Name

  • beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-, 4-((2E)-3-(3,4-dihydroxyphenyl)-2-propenoate) 2-((2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate)

Registry Numbers

CAS Registry Number

  • 122960-94-5

System Generated Number

  • 0122960945

Structure Descriptors

InChI

1S/C52H68O30/c1-4-23-24(25(47(70)71-3)18-73-48(23)82-51-43(69)40(66)37(63)31(17-54)77-51)15-34(60)80-46-45(81-50-42(68)38(64)35(61)20(2)75-50)44(79-33(59)10-7-21-5-8-26(55)28(57)13-21)32(19-74-49-41(67)39(65)36(62)30(16-53)76-49)78-52(46)72-12-11-22-6-9-27(56)29(58)14-22/h4-10,13-14,18,20,24,30-32,35-46,48-58,61-69H,11-12,15-17,19H2,1-3H3/b10-7+,23-4+

InChIKey

NCWSNEBSZYXCJE-NPKICSMLSA-N

Smiles

O1[C@@H]([C@@H]([C@@H](O)[C@@H]([C@@H]1CO)O)O)OC[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1OC(=O)\C=C\c1ccc(c(c1)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)OC(C[C@@H]1C(\[C@@H](O[C@@H]2[C@@H](O)[C@@H]([C@@H](O)[C@@H](CO)O2)O)OC=C1C(OC)=O)=C\C)=O)OCCc1ccc(c(c1)O)O