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Substance Name: Officinalisnin II
RN: 57944-19-1
InChIKey: TUDCHFPLNJLAIG-UHFFFAOYSA-N

Molecular Weight

  • 1053.19
 
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Names and Synonyms

  • Officinalisnin II

Registry Numbers

CAS Registry Number

  • 57944-19-1

System Generated Number

  • 0057944191

Structure Descriptors

InChI

1S/C50H84O23/c1-20(18-65-44-39(61)36(58)34(56)29(15-51)68-44)7-12-50(64)21(2)32-28(73-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)67-47-43(72-46-40(62)37(59)35(57)30(16-52)69-46)41(63)42(31(17-53)70-47)71-45-38(60)33(55)27(54)19-66-45/h20-47,51-64H,5-19H2,1-4H3

InChIKey

TUDCHFPLNJLAIG-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H](O)[C@@H](O)[C@@H]1O[C@@H]1[C@@H]([C@@H]([C@@H](CO)O[C@@H]1O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]5[C@@H](C[C@@H]4[C@@H]3CC[C@@H]2C1)O[C@@]([C@@H]5C)(O)CC[C@@H](CO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C)O[C@@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O)O)O)CO