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Substance Name: Ambocin
RN: 108044-05-9
InChIKey: UXJMURXRQMFKJC-JEQMPJCPSA-N

Molecular Formula

  • C26-H28-O14

Molecular Weight

  • 564.493
 
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Names and Synonyms

Results Name

  • Ambocin

Synonyms

  • (-)-Ambocin
  • Ambocin

Systematic Name

  • 4H-1-Benzopyran-4-one, 7-((6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-3-(4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 108044-05-9

System Generated Number

  • 0108044059

Structure Descriptors

InChI

1S/C26H28O14/c27-9-26(35)10-38-25(23(26)34)37-8-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-7-14(19(18)30)11-1-3-12(28)4-2-11/h1-7,17,20-25,27-29,31-35H,8-10H2/t17-,20-,21+,22-,23+,24-,25-,26-/m1/s1

InChIKey

UXJMURXRQMFKJC-JEQMPJCPSA-N

Smiles

O1[C@H]([C@@H]([C@@](CO)(O)C1)O)OC[C@@H]1[C@@H](O)[C@@H]([C@H]([C@@H](Oc2cc3c(c(c2)O)c(c(co3)c2ccc(cc2)O)=O)O1)O)O