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Substance Name: 27,28-Didehydro-12-dehydroxy-27-demethoxy-12,19-dideoxy-11,28,29-trihydro-29-oxorifamycin s
RN: 172097-89-1
InChIKey: XPBABJVRNBZFEG-ABQGJKNTSA-N

Molecular Formula

  • C36-H43-N-O10

Molecular Weight

  • 649.7327
 
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Names and Synonyms

  • 27,28-Didehydro-12-dehydroxy-27-demethoxy-12,19-dideoxy-11,28,29-trihydro-29-oxorifamycin s

Registry Numbers

CAS Registry Number

  • 172097-89-1

System Generated Number

  • 0172097891

Structure Descriptors

InChI

1S/C36H43NO10/c1-17(30(41)21(5)31(42)22(6)34(47-24(8)39)18(2)13-10-14-38)11-9-12-19(3)36(45)37-26-16-27(40)28-25-15-20(4)46-35(25)23(7)32(43)29(28)33(26)44/h9-18,21-22,30-31,34,41-43H,1-8H3,(H,37,45)/b11-9+,13-10-,19-12-/t17-,18+,21+,22+,30-,31+,34+/m0/s1

InChIKey

XPBABJVRNBZFEG-ABQGJKNTSA-N

Smiles

C[C@@H](\C=C\C=C(\C)/C(=O)NC1=CC(=O)c2c(C1=O)c(O)c(C)c3oc(C)cc23)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)\C=C/C=O