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Substance Name: Diinsininol
RN: 176739-79-0
InChIKey: DQBZPEAEXINSNR-ZYJPQFFYSA-N

Note

  • From the rhizome of Sarcophyte piriei.

Molecular Formula

  • C36-H32-O16

Molecular Weight

  • 720.633
 
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Names and Synonyms

Results Name

  • Diinsininol

Synonym

  • Diinsininol

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 176739-79-0

System Generated Number

  • 0176739790

Structure Descriptors

InChI

1S/C36H32O16/c37-12-27-31(45)32(46)33(47)35(50-27)48-15-7-21(42)28-16-11-36(51-25(28)8-15,14-2-4-18(39)20(41)6-14)52-26-10-23(44)30-22(43)9-24(49-34(30)29(16)26)13-1-3-17(38)19(40)5-13/h1-8,10,16,24,27,31-33,35,37-42,44-47H,9,11-12H2/t16-,24?,27+,31+,32-,33+,35+,36-/m0/s1

InChIKey

DQBZPEAEXINSNR-ZYJPQFFYSA-N

Smiles

c1(ccc(c(c1)O)O)[C@@]12Oc3cc(cc(O)c3[C@H](c3c(O1)cc(c1c3O[C@@H](CC1=O)c1cc(c(cc1)O)O)O)C2)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO