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Substance Name: CP 91243
RN: 135179-21-4
InChIKey: KZPLWDHHZAVXSR-OOQFAHMQSA-N

Note

  • From mutants of Actinomadura roseorufa.

Molecular Weight

  • 973.1956
 
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Names and Synonyms

Name of Substance

  • CP 91243

Synonym

  • CP-91,243

Systematic Name

  • Semduramicin, 4'-O-demethyl-5-O-(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-, (5(2S,5S,6R))-

Registry Numbers

CAS Registry Number

  • 135179-21-4

System Generated Number

  • 0135179214

Structure Descriptors

InChI

1S/C50H84O18/c1-24-20-25(2)49(10,55)65-41(24)35-21-36(60-39-14-12-31(51)29(6)58-39)46(62-35)48(9)17-16-37(64-48)47(8)18-19-50(68-47)23-33(53)26(3)42(66-50)28(5)44-45(57-11)43(27(4)34(61-44)22-38(54)67-56)63-40-15-13-32(52)30(7)59-40/h24-37,39-46,51-53,55-56H,12-23H2,1-11H3/t24-,25+,26+,27?,28?,29+,30+,31-,32-,33-,34?,35+,36-,37?,39-,40-,41?,42-,43?,44?,45?,46+,47-,48-,49-,50+/m0/s1

InChIKey

KZPLWDHHZAVXSR-OOQFAHMQSA-N

Smiles

C[C@H]1C[C@H]([C@@](OC1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CCC(O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)C(C)C6C(C(C(C(O6)CC(=O)OO)C)O[C@H]7CC[C@@H]([C@H](O7)C)O)OC)C)O)C)C)O[C@H]8CC[C@@H]([C@H](O8)C)O)(C)O)C