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Substance Name: Catheduline 4
RN: 61230-20-4
InChIKey: LBMHRPAJRWOOPW-UHFFFAOYSA-N

Molecular Formula

  • C52-H58-N2-O22

Molecular Weight

  • 1063.02
 
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Names and Synonyms

Results Name

  • Catheduline 4

Synonyms

  • Cathedulin 4
  • Catheduline E 4

Systematic Name

  • Evonine, O6,O9,O15-trideacetyl-8-deoxo-8-hydroxy-, cyclic 8,4:15,3-ester with 4-((4-carboxy-2,6-dimethoxyphenoxy)methyl)-3-pyridinecarboxylic acid, 9-(2-(acetyloxy)-2-methylpropanoate), (8alpha)-

Registry Numbers

CAS Registry Number

  • 61230-20-4

System Generated Number

  • 0061230204

Structure Descriptors

InChI

1S/C52H58N2O22/c1-23-24(2)43(59)73-40-38(70-25(3)55)42(71-26(4)56)51-22-69-46(62)31-19-53-16-14-28(31)20-67-36-32(65-10)17-29(18-33(36)66-11)44(60)72-37(41(51)74-47(63)48(6,7)75-27(5)57)34-39(58)52(51,50(40,9)64)76-49(34,8)21-68-45(61)30-13-12-15-54-35(23)30/h12-19,23-24,34,37-42,58,64H,20-22H2,1-11H3

InChIKey

LBMHRPAJRWOOPW-UHFFFAOYSA-N

Smiles

n1cc2c(COc3c(cc(cc3OC)C(O[C@@H]3[C@@H]4[C@@H](O)[C@@]56O[C@@]4(C)COC(c4c([C@@H]([C@@H](C(=O)O[C@@H]([C@@]6(O)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]5([C@@H]3OC(C(OC(C)=O)(C)C)=O)COC2=O)C)C)nccc4)=O)=O)OC)cc1