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Substance Name: CP 91244
RN: 135215-73-5
InChIKey: GUVMPKLAWKGVEJ-ZCBRAWTOSA-N

Note

  • From mutants of Actinomadura roseorufa.

Molecular Formula

  • C51-H86-O18

Molecular Weight

  • 987.2224
 
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Names and Synonyms

Name of Substance

  • CP 91244

Synonym

  • CP-91,244

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 135215-73-5

System Generated Number

  • 0135215735

Structure Descriptors

InChI

1S/C51H86O18/c1-25-21-26(2)50(10,55)66-42(25)36-22-37(61-40-16-14-34(57-11)31(7)60-40)47(63-36)49(9)18-17-38(65-49)48(8)19-20-51(69-48)24-33(53)27(3)43(67-51)29(5)45-46(58-12)44(28(4)35(62-45)23-39(54)68-56)64-41-15-13-32(52)30(6)59-41/h25-38,40-47,52-53,55-56H,13-24H2,1-12H3/t25-,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36+,37-,38?,40-,41-,42?,43?,44-,45?,46-,47?,48-,49-,50-,51?/m0/s1

InChIKey

GUVMPKLAWKGVEJ-ZCBRAWTOSA-N

Smiles

C[C@H]1C[C@H]([C@@](OC1[C@H]2C[C@@H](C(O2)[C@@]3(CCC(O3)[C@@]4(CCC5(O4)C[C@@H]([C@H](C(O5)[C@@H](C)C6[C@H]([C@H]([C@H]([C@H](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)OC)(C)O)C