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Substance Name: Citrifolinoside A
RN: 350590-52-2
UNII: 60202OBY3A
InChIKey: PPNNIWJAKIMLID-HJZUTWSRSA-N

Note

  • From the leaves of Morinda citrifolia.

Molecular Formula

  • C26-H28-O14

Molecular Weight

  • 564.4932
 
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Names and Synonyms

Name of Substance

  • Citrifolinoside A

Synonyms

  • (+)-Citrifolinoside A
  • Citrifolinoside A
  • Spiro(furan-2(3H),6'(1'bh)-oxireno(3,4)cyclopenta(1,2-C)pyran)-2'-carboxylic acid, 5'-(beta-D-glucopyranosyloxy)-1'a,4,5,5',5'a,6'a-hexahydro-3-hydroxy-4-((4-hydroxyphenyl)methylene)-5-oxo-, methyl ester, (1'as,1'bs,2S,3R,4E,5'S,5'as,6'as)-
  • UNII-60202OBY3A
  • Yopaaoside B

Registry Numbers

CAS Registry Number

  • 350590-52-2

FDA UNII

  • 60202OBY3A

System Generated Number

  • 0350590522

Structure Descriptors

InChI

1S/C26H28O14/c1-35-22(33)12-8-36-24(39-25-18(31)17(30)16(29)13(7-27)37-25)15-14(12)19-21(38-19)26(15)20(32)11(23(34)40-26)6-9-2-4-10(28)5-3-9/h2-6,8,13-21,24-25,27-32H,7H2,1H3/b11-6+/t13-,14-,15-,16-,17+,18-,19+,20-,21+,24+,25+,26-/m1/s1

InChIKey

PPNNIWJAKIMLID-HJZUTWSRSA-N

Smiles

COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@H]3[C@@H]([C@]24[C@@H](/C(=C\c5ccc(cc5)O)/C(=O)O4)O)O3)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O