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25-Deacetyl-21-acetyl rifampicin , CAS No.1416773-22-2
Names and Identifiers
IUPAC Name | [(7R,9E,11R,12S,13R,14R,15S,16R,17S,18R,19E,21E)-2,13,15,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-17-yl] acetate |
INCHI | InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)34(49)24(4)35(50)25(5)39(21)58-27(7)48/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13+,44-20+/t21-,23-,24-,25-,29-,34+,35+,39+,43-/m1/s1 |
InChi Key | GMPRCJHFVWRAND-GKFDBJHDSA-N |
Canonical SMILES | CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1OC(=O)C)C)O)C)O)C)OC)C)C)O)O)C=NN5CCN(CC5)C)C |
PubChem CID | 137241615 |
Molecular Weight | 822.94 |
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