| SpectraBase Compound ID | 9VLQoeKojyb |
|---|---|
| InChI | InChI=1S/C57H64I2N4O11/c1-11-24-63-39(35-19-12-14-21-37(35)58)26-57(27-40(63)36-20-13-15-22-38(36)59)61-45-42-43-50(67)33(7)53-44(42)54(69)56(9,74-53)72-25-23-41(71-10)30(4)52(73-34(8)64)32(6)49(66)31(5)48(65)28(2)17-16-18-29(3)55(70)60-47(51(43)68)46(45)62-57/h11-23,25,28,30-32,39-41,48-49,52,62,65-67H,1,24,26-27H2,2-10H3,(H,60,70)/b17-16+,25-23+,29-18-/t28-,30+,31+,32-,39-,40+,41-,48-,49-,52+,56-,57+/m0/s1 |
| InChIKey | ZMHZGWDXKMPEKK-XTFQLNDTSA-N |
| Mol Weight | 1235.0 g/mol |
| Molecular Formula | C57H64I2N4O11 |
| Exact Mass | 1234.266099 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXFv3S6PJ2j |
|---|---|
| Name | SPIRO-PIPERIDYLRIFAMYCIN |
| Compound Number | 5AM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H64I2N4O11 |
| InChI | InChI=1S/C57H64I2N4O11/c1-11-24-63-39(35-19-12-14-21-37(35)58)26-57(27-40(63)36-20-13-15-22-38(36)59)61-45-42-43-50(67)33(7)53-44(42)54(69)56(9,74-53)72-25-23-41(71-10)30(4)52(73-34(8)64)32(6)49(66)31(5)48(65)28(2)17-16-18-29(3)55(70)60-47(51(43)68)46(45)62-57/h11-23,25,28,30-32,39-41,48-49,52,62,65-67H,1,24,26-27H2,2-10H3,(H,60,70)/b17-16+,25-23+,29-18-/t28-,30+,31+,32-,39-,40+,41-,48-,49-,52+,56-,57+/m0/s1 |
| InChIKey | ZMHZGWDXKMPEKK-XTFQLNDTSA-N |
| Literature Reference Author | E.RUBIO,I.MERINO,A.B.GARCIA,M.P.CABAL,C.RIBAS,M.BAYOD-JASANA DA |
| Literature Reference Citation | MAGN.RES.CHEM.,43,269(2005) |
| Literature Reference DOI | 10.1002/mrc.1545 |
| Molecular Weight | 1234.964 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWSI27004 |