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Substance Name: Diinsinin
RN: 176739-80-3
InChIKey: FTKAVFCYTQUGTN-YATVLCGMSA-N

Note

  • From the rhizome of Sarcophyte piriei.

Molecular Formula

  • C36-H32-O15

Molecular Weight

  • 704.634
 
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Names and Synonyms

Results Name

  • Diinsinin

Synonym

  • Diinsinin

Systematic Names

  • 8,14-Methano-4H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-4-one, 8-(3,4-dihydroxyphenyl)-11-(beta-D-glucopyranosyloxy)-2,3-dihydro-5,13-dihydroxy-2-(4-hydroxyphenyl)-, (2R,8R,14R)-
  • 8,14-Methano-4H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-4-one, 8-(3,4-dihydroxyphenyl)-11-(beta-D-glucopyranosyloxy)-2,3-dihydro-5,13-dihydroxy-2-(4-hydroxyphenyl)-, (2R-(2alpha,8beta,14alpha))-

Registry Numbers

CAS Registry Number

  • 176739-80-3

System Generated Number

  • 0176739803

Structure Descriptors

InChI

1S/C36H32O15/c37-13-27-31(44)32(45)33(46)35(49-27)47-17-8-21(41)28-18-12-36(50-25(28)9-17,15-3-6-19(39)20(40)7-15)51-26-11-23(43)30-22(42)10-24(48-34(30)29(18)26)14-1-4-16(38)5-2-14/h1-9,11,18,24,27,31-33,35,37-41,43-46H,10,12-13H2/t18-,24?,27+,31+,32-,33+,35+,36-/m0/s1

InChIKey

FTKAVFCYTQUGTN-YATVLCGMSA-N

Smiles

c1(ccc(c(c1)O)O)[C@@]12Oc3cc(cc(O)c3[C@H](c3c(O1)cc(c1c3O[C@@H](CC1=O)c1ccc(cc1)O)O)C2)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO