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Substance Name: Hippocrateine II
RN: 132209-62-2
InChIKey: RVRGKCMJIQOILH-UHFFFAOYSA-N

Note

  • From Hippocratea excelsa.

Molecular Formula

  • C51-H58-N2-O19

Molecular Weight

  • 1003.01
 
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Names and Synonyms

Name of Substance

  • Hippocrateine II

Systematic Name

  • Evonine, 8-(acetyloxy)-O1-benzoyl-O1,O2,O15-trideacetyl-8-deoxo-O2-((1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl)-O15-(2-methyl-1-oxobutyl)-, (8alpha)-

Registry Numbers

CAS Registry Number

  • 132209-62-2

System Generated Number

  • 0132209622

Structure Descriptors

InChI

1S/C51H58N2O19/c1-11-25(2)43(58)65-24-50-41(68-30(7)56)37(66-28(5)54)35-39(67-29(6)55)51(50)49(9,63)40(70-44(59)27(4)26(3)36-33(18-15-21-52-36)47(62)64-23-48(35,8)72-51)38(42(50)71-45(60)31-16-13-12-14-17-31)69-46(61)32-19-20-34(57)53(10)22-32/h12-22,25-27,35,37-42,63H,11,23-24H2,1-10H3

InChIKey

RVRGKCMJIQOILH-UHFFFAOYSA-N

Smiles

c1(ccccc1)C(O[C@@H]1[C@@H](OC(=O)c2cn(c(cc2)=O)C)[C@@H]2[C@@]([C@@]34[C@@]1([C@@H]([C@@H]([C@@H]([C@@H]3OC(C)=O)[C@@](COC(c1cccnc1[C@@H]([C@@H](C(O2)=O)C)C)=O)(O4)C)OC(C)=O)OC(C)=O)COC([C@@H](C)CC)=O)(O)C)=O