| SpectraBase Compound ID | GgQ2iADKv1H |
|---|---|
| InChI | InChI=1S/C51H64N4O13/c1-23-13-12-14-24(2)49(63)53-41-40-39(54-51(55-40)21-33(52-34(22-56)29(51)7)31-15-17-32(64-10)18-16-31)36-37(45(41)61)44(60)28(6)47-38(36)48(62)50(9,68-47)66-20-19-35(65-11)25(3)46(67-30(8)57)27(5)43(59)26(4)42(23)58/h12-20,23,25-27,29,33-35,42-43,46,52,55-56,58-60H,21-22H2,1-11H3,(H,53,63)/b13-12+,20-19+,24-14-/t23-,25+,26+,27-,29+,33+,34+,35-,42-,43-,46+,50-,51+/m0/s1 |
| InChIKey | WPSMSLZOBRZDKL-BTBJIHARSA-N |
| Mol Weight | 941.1 g/mol |
| Molecular Formula | C51H64N4O13 |
| Exact Mass | 940.446988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4RqYOKr29m |
|---|---|
| Name | SPIRO-PIPERIDYLRIFAMYCIN |
| Compound Number | 5BM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H64N4O13 |
| InChI | InChI=1S/C51H64N4O13/c1-23-13-12-14-24(2)49(63)53-41-40-39(54-51(55-40)21-33(52-34(22-56)29(51)7)31-15-17-32(64-10)18-16-31)36-37(45(41)61)44(60)28(6)47-38(36)48(62)50(9,68-47)66-20-19-35(65-11)25(3)46(67-30(8)57)27(5)43(59)26(4)42(23)58/h12-20,23,25-27,29,33-35,42-43,46,52,55-56,58-60H,21-22H2,1-11H3,(H,53,63)/b13-12+,20-19+,24-14-/t23-,25+,26+,27-,29+,33+,34+,35-,42-,43-,46+,50-,51+/m0/s1 |
| InChIKey | WPSMSLZOBRZDKL-BTBJIHARSA-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 | 941.088 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWSI27006 |