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Substance Name: Isoschaftoside
RN: 52012-29-0
UNII: H27X8715V3
InChIKey: OVMFOVNOXASTPA-VYUBKLCTSA-N

Molecular Formula

  • C26-H28-O14

Molecular Weight

  • 564.4932
 
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Names and Synonyms

Name of Substance

  • Isoschaftoside

Synonyms

  • Isoschaftoside
  • UNII-H27X8715V3

Systematic Name

  • 4H-1-Benzopyran-4-one, 6-alpha-L-arabinopyranosyl-8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 52012-29-0

FDA UNII

  • H27X8715V3

System Generated Number

  • 0052012290

Structure Descriptors

InChI

1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1

InChIKey

OVMFOVNOXASTPA-VYUBKLCTSA-N

Smiles

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c4C(=O)C=C(Oc24)c5ccc(O)cc5