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Substance Name: Hippocrateine I
RN: 132185-31-0
InChIKey: RTDUSTYBGFBJCI-UHFFFAOYSA-N

Note

  • From Hippocratea excelsa.

Molecular Formula

  • C48-H52-N2-O19

Molecular Weight

  • 960.934
 
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Names and Synonyms

Name of Substance

  • Hippocrateine I

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 132185-31-0

System Generated Number

  • 0132185310

Structure Descriptors

InChI

1S/C48H52N2O19/c1-23-24(2)41(56)67-38-36(66-43(58)30-17-18-32(55)50(9)20-30)40(68-42(57)29-14-11-10-12-15-29)47(22-61-25(3)51)39(65-28(6)54)35(63-26(4)52)33-37(64-27(5)53)48(47,46(38,8)60)69-45(33,7)21-62-44(59)31-16-13-19-49-34(23)31/h10-20,23-24,33,35-40,60H,21-22H2,1-9H3

InChIKey

RTDUSTYBGFBJCI-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)=O)(O)C)=O