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Substance Name: Digalonin
RN: 89590-96-5
InChIKey: AGVYYJNBERMZEI-UHFFFAOYSA-N

Molecular Weight

  • 1213.31
 
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Names and Synonyms

  • Digalonin

Registry Numbers

CAS Registry Number

  • 89590-96-5

System Generated Number

  • 0089590965

Structure Descriptors

InChI

1S/C56H92O28/c1-20-7-12-56(74-18-20)21(2)31-45(84-56)37(66)32-24-6-5-22-13-23(8-10-54(22,3)25(24)9-11-55(31,32)4)75-50-42(71)39(68)44(30(17-60)79-50)80-53-48(47(36(65)29(16-59)78-53)82-49-40(69)33(62)26(61)19-73-49)83-52-43(72)46(35(64)28(15-58)77-52)81-51-41(70)38(67)34(63)27(14-57)76-51/h20-53,57-72H,5-19H2,1-4H3

InChIKey

AGVYYJNBERMZEI-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H](O)[C@@H]([C@@H](O[C@@H]2[C@@H]([C@@H](O[C@@H]3[C@@H](O[C@@H]([C@@H]([C@@H]3O)O)O[C@@H]3CC[C@@]4([C@@H]5CC[C@@]6([C@@H]7[C@@H]([C@@H]([C@@H]6[C@@H]5CC[C@@H]4C3)O)O[C@@]3([C@@H]7C)CC[C@@H](CO3)C)C)C)CO)O[C@@H](CO)[C@@H]2O)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O[C@@H]2O[C@@H](CO)[C@@H]([C@@H](O)[C@@H]2O)O)O)O1)O)O