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Substance Name: 27,28-Didehydro-27-demethoxy-12,29-deoxy-21,23-o-formyldene-28,29-dihydro-12-hydroxy-29-oxorifamycin s
RN: 172097-86-8
InChIKey: OJSGWGPTNBCXIC-LZZDPDHWSA-N

Molecular Formula

  • C37-H43-N-O12

Molecular Weight

  • 693.7417
 
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Names and Synonyms

  • 27,28-Didehydro-27-demethoxy-12,29-deoxy-21,23-o-formyldene-28,29-dihydro-12-hydroxy-29-oxorifamycin s

Registry Numbers

CAS Registry Number

  • 172097-86-8

System Generated Number

  • 0172097868

Structure Descriptors

InChI

1S/C37H43NO12/c1-17(31-21(5)33(48-16-47-31)22(6)32(49-23(7)40)18(2)13-10-14-39)11-9-12-19(3)36(45)38-24-15-25(41)26-27(30(24)43)29(42)20(4)34-28(26)35(44)37(8,46)50-34/h9-15,17-18,21-22,31-33,42,46H,16H2,1-8H3,(H,38,45)/b11-9+,13-10?,19-12-/t17-,18+,21+,22-,31-,32+,33+,37-/m0/s1

InChIKey

OJSGWGPTNBCXIC-LZZDPDHWSA-N

Smiles

C[C@H](\C=C\C=O)[C@@H](OC(=O)C)[C@H](C)[C@@H]1OCO[C@@H]([C@@H](C)\C=C\C=C(\C)/C(=O)NC2=CC(=O)c3c(C2=O)c(O)c(C)c4O[C@](C)(O)C(=O)c34)[C@H]1C