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Substance Name: Xeranthin
RN: 129761-12-2
InChIKey: TZFKCHSUEPOYIV-FNORWQNLSA-N

Molecular Formula

  • C39-H49-N-O23

Molecular Weight

  • 899.8
 
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Names and Synonyms

Results Name

  • Xeranthin

Synonym

  • Xeranthin

Systematic Name

  • Benzeneacetonitrile, alpha-((O-5-O-(3-(4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl)-1-oxo-2-propenyl)-D-apio-beta-D-furanosyl-(1-4)-O-beta-D-xylopyranosyl-(1-6)-beta-D-glucopyranosyl)oxy)-3-hydroxy-, (S-(E))-

Registry Numbers

CAS Registry Number

  • 129761-12-2

System Generated Number

  • 0129761122

Structure Descriptors

InChI

1S/C39H49NO23/c40-10-21(17-2-1-3-18(42)9-17)60-37-33(52)30(49)27(46)23(62-37)12-55-35-31(50)28(47)24(13-56-35)63-38-34(53)39(54,15-58-38)14-57-25(44)7-5-16-4-6-20(19(43)8-16)59-36-32(51)29(48)26(45)22(11-41)61-36/h1-9,21-24,26-38,41-43,45-54H,11-15H2/b7-5+

InChIKey

TZFKCHSUEPOYIV-FNORWQNLSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H](O)[C@@H]1Oc1ccc(cc1O)\C=C\C(OC[C@@]1([C@@H](O)[C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H](OC2)OC[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O[C@@H](C#N)c2cc(ccc2)O)O)O)O)O)O)OC1)O)=O)O)O)CO