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Substance Name: 23,27,28-Tridehydro-23-dehydroxy-27-demethoxy-12,29-deoxy-28,29-dihydro-12-hydroxy-23,29-dioxorifamycin s
RN: 172097-84-6
InChIKey: NXPZQJQDFPIWMS-KLTADECSSA-N

Molecular Formula

  • C36-H41-N-O12

Molecular Weight

  • 679.7149
 
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Names and Synonyms

  • 23,27,28-Tridehydro-23-dehydroxy-27-demethoxy-12,29-deoxy-28,29-dihydro-12-hydroxy-23,29-dioxorifamycin s

Registry Numbers

CAS Registry Number

  • 172097-84-6

System Generated Number

  • 0172097846

Structure Descriptors

InChI

1S/C36H41NO12/c1-16(28(41)19(4)29(42)20(5)32(48-22(7)39)17(2)13-10-14-38)11-9-12-18(3)35(46)37-23-15-24(40)25-26(31(23)44)30(43)21(6)33-27(25)34(45)36(8,47)49-33/h9-17,19-20,28,32,41,43,47H,1-8H3,(H,37,46)/b11-9+,13-10+,18-12-/t16-,17+,19+,20+,28-,32+,36-/m0/s1

InChIKey

NXPZQJQDFPIWMS-KLTADECSSA-N

Smiles

C[C@@H](\C=C\C=C(\C)/C(=O)NC1=CC(=O)c2c(C1=O)c(O)c(C)c3O[C@](C)(O)C(=O)c23)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)\C=C\C=O