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Substance Name: Peganetin
RN: 109517-74-0
InChIKey: QOZYYIZALVCMCA-UHFFFAOYSA-N

Molecular Formula

  • C42-H54-O25

Molecular Weight

  • 958.864
 
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Names and Synonyms

  • Peganetin

Registry Numbers

CAS Registry Number

  • 109517-74-0

System Generated Number

  • 0109517740

Structure Descriptors

InChI

1S/C42H54O25/c1-14-27(47)30(50)34(54)40(60-14)66-37-25(13-59-39-33(53)31(51)28(48)23(11-43)63-39)65-42(38(36(37)56)67-41-35(55)32(52)29(49)24(64-41)12-58-15(2)44)61-18-8-19(45)26-20(46)10-21(62-22(26)9-18)16-4-6-17(57-3)7-5-16/h4-10,14,23-25,27-43,45,47-56H,11-13H2,1-3H3

InChIKey

QOZYYIZALVCMCA-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H](O)[C@@H]1OC[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)Oc1cc2c(c(c1)O)c(cc(o2)c1ccc(cc1)OC)=O)O[C@@H]1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O1)COC(C)=O)O)O)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)O)CO