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Substance Name: Cephalostatin 4
RN: 116229-58-4
InChIKey: UEHDIODHEJEJFE-UHFFFAOYSA-N

Molecular Formula

  • C54-H74-N2-O12

Molecular Weight

  • 943.181
 
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Names and Synonyms

  • Cephalostatin 4

Registry Numbers

CAS Registry Number

  • 116229-58-4

System Generated Number

  • 0116229584

Structure Descriptors

InChI

1S/C54H74N2O12/c1-25-30-16-43-52(65-43)37-12-10-28-14-34-36(19-47(28,7)50(37,62)22-39(59)49(30,52)24-64-53(25)40(60)20-44(3,4)67-53)56-33-13-27-9-11-29-31(46(27,6)18-35(33)55-34)15-38(58)48(8)32(29)17-42-51(48,63)26(2)54(66-42)41(61)21-45(5,23-57)68-54/h17,25-32,37-38,40-41,43,57-58,60-63H,9-16,18-24H2,1-8H3

InChIKey

UEHDIODHEJEJFE-UHFFFAOYSA-N

Smiles

O1[C@@]2([C@@H]([C@@]3(O)[C@@]4([C@@H](C[C@@H]5[C@@]6(Cc7nc8C[C@@H]9CC[C@@H]%10[C@@](CC([C@@]%11%12CO[C@@]%13([C@@H](O)CC(C)(C)O%13)[C@@H](C)[C@@H]%11C[C@@H]%11[C@@]%10%12O%11)=O)([C@@]9(Cc8nc7C[C@@H]6CC[C@@H]5[C@@H]4C=C3O2)C)O)C)O)C)C)[C@@H](O)C[C@@]1(CO)C