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Substance Name: Orthenine
RN: 101241-19-4
InChIKey: CIURCETXWIFBSY-ISLYRVAYSA-N

Molecular Formula

  • C58-H88-O19

Molecular Weight

  • 1089.31
 
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Names and Synonyms

  • Orthenine

Registry Numbers

CAS Registry Number

  • 101241-19-4

System Generated Number

  • 0101241194

Structure Descriptors

InChI

1S/C58H88O19/c1-31-50(61)39(65-8)26-47(69-31)75-52-33(3)71-49(28-41(52)67-10)77-53-34(4)72-48(29-42(53)68-11)76-51-32(2)70-46(27-40(51)66-9)73-38-20-21-54(6)37(25-38)19-22-57(63)43(54)30-44(74-45(60)18-17-36-15-13-12-14-16-36)55(7)56(62,35(5)59)23-24-58(55,57)64/h12-19,31-35,38-44,46-53,59,61-64H,20-30H2,1-11H3/b18-17+

InChIKey

CIURCETXWIFBSY-ISLYRVAYSA-N

Smiles

O([C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O[C@@H](O[C@@H]3[C@@H](O[C@@H](O[C@@H]4CC[C@@]5([C@@H]6[C@@](CC=C5C4)([C@@]4([C@@]([C@@H](C6)OC(\C=C\c5ccccc5)=O)([C@@](CC4)([C@@H](C)O)O)C)O)O)C)C[C@@H]3OC)C)C[C@@H]2OC)C)C[C@@H]1OC)[C@@H]1C[C@@H]([C@@H](O)[C@@H](C)O1)OC