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Substance Name: Hypoxoside
RN: 83643-94-1
InChIKey: NKCXUXCXXINIMN-DBMAEGAXSA-N

Molecular Formula

  • C29-H34-O14

Molecular Weight

  • 606.574
 
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Names and Synonyms

Name of Substance

  • Hypoxoside

Synonym

  • 1,5-Bis(4'-glucopyranosyloxy-3'-hydroxyphenyl)pent-4-en-1-yne

Systematic Name

  • beta-D-Glucopyranoside, 1-penten-4-yne-1,5-diylbis(2-hydroxy-4,1-phenylene)bis-, (E)-

Registry Numbers

CAS Registry Number

  • 83643-94-1

System Generated Number

  • 0083643941

Structure Descriptors

InChI

1S/C29H34O14/c30-12-20-22(34)24(36)26(38)28(42-20)40-18-8-6-14(10-16(18)32)4-2-1-3-5-15-7-9-19(17(33)11-15)41-29-27(39)25(37)23(35)21(13-31)43-29/h2,4,6-11,20-39H,1,12-13H2/b4-2+/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+/m1/s1

InChIKey

NKCXUXCXXINIMN-DBMAEGAXSA-N

Smiles

O1[C@H]([C@@H]([C@@H](O)[C@@H]([C@H]1CO)O)O)Oc1c(cc(\C=C\CC#Cc2cc(O)c(O[C@@H]3[C@H]([C@H](O)[C@H]([C@@H](O3)CO)O)O)cc2)cc1)O