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Substance Name: Mycalolide C
RN: 122752-20-9
InChIKey: IQWXGENIKCGPFN-WXFXDICLSA-N

Molecular Formula

  • C51-H72-N4-O16

Molecular Weight

  • 997.142
 
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Names and Synonyms

Results Name

  • Mycalolide C

Synonym

  • Mycalolide C

Systematic Name

  • Kabiramide C, 4-O-acetyl-21-O-de(aminocarbonyl)-23,24-didehydro-23- demethyl-4-O-demethyl-6-deoxo-25-deoxy-6-(2-methoxy-1-oxopropoxy)-25-oxo-

Registry Numbers

CAS Registry Number

  • 122752-20-9

Other Registry Number

  • 121071-12-3

System Generated Number

  • 0122752209

Structure Descriptors

InChI

1S/C51H72N4O16/c1-29(19-20-42(71-51(61)34(6)62-9)33(5)47(69-35(7)57)30(2)21-22-55(8)28-56)43(64-11)24-44-32(4)41(63-10)17-14-18-45-52-38(26-66-45)49-54-39(27-68-49)50-53-37(25-67-50)48(65-12)31(3)40(59)16-13-15-36(58)23-46(60)70-44/h13-14,16,18,21-22,25-34,36,41-44,47-48,58H,15,17,19-20,23-24H2,1-12H3/b16-13+,18-14-,22-21+/t29-,30+,31-,32+,33-,34+,36-,41-,42+,43-,44-,47+,48-/m0/s1

InChIKey

IQWXGENIKCGPFN-WXFXDICLSA-N

Smiles

c12c3coc(C=CC[C@H](OC)[C@@H](C)[C@@H](OC(=O)C[C@H](CC=CC(=O)[C@@H]([C@@H](c4coc(c(co1)n2)n4)OC)C)O)C[C@@H]([C@H](CC[C@H]([C@@H]([C@@H]([C@@H](\C=C\N(C=O)C)C)OC(C)=O)C)OC(=O)[C@H](OC)C)C)OC)n3