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Substance Name: Wilfordine
RN: 37239-51-3
InChIKey: XQDBHSNYTFRCNJ-VZMMHOHCSA-N

Molecular Formula

  • C43-H49-N-O19

Molecular Weight

  • 883.8481
 
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Names and Synonyms

  • Wilfordin
  • Wilfordine

Registry Numbers

CAS Registry Number

  • 37239-51-3

System Generated Number

  • 0037239513

Structure Descriptors

InChI

1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29?,30-,31+,32-,33+,34-,35+,39?,40-,41?,42-,43+/m1/s1

InChIKey

XQDBHSNYTFRCNJ-VZMMHOHCSA-N

Smiles

CC(=O)OC[C@@]12[C@H]([C@H]([C@H]3C([C@@]14[C@@H](C([C@H]([C@H]2OC(=O)C)OC(=O)C)[C@](O4)(COC(=O)c5cccnc5CCC(C(=O)O3)(C)O)C)OC(=O)C)(C)O)OC(=O)c6ccccc6)OC(=O)C