| SpectraBase Compound ID | EvqjBbvfM93 |
|---|---|
| InChI | InChI=1S/C52H79N5O12/c1-32(16-12-11-13-17-34(3)44(66-8)30-40-22-20-38(7)52(65,69-40)49(61)50(62)56-25-15-14-18-42(56)51(63)64)26-36(5)46(59)48(68-10)47(60)37(6)28-35(4)43(58)24-19-33(2)27-39-21-23-41(45(29-39)67-9)57-31-53-54-55-57/h11-13,16-17,19,24,28,31-33,35-36,38-42,44-45,47-48,60,65H,14-15,18,20-23,25-27,29-30H2,1-10H3,(H,63,64)/b13-11+,16-12+,24-19+,34-17+,37-28+/t32-,33+,35+,36-,38-,39-,40?,41-,42?,44+,45+,47+,48-,52-/m1/s1 |
| InChIKey | QGWFCBZMORYSSG-PPIWGTLASA-N |
| Mol Weight | 966.2 g/mol |
| Molecular Formula | C52H79N5O12 |
| Exact Mass | 965.572523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G29ENuHjXkz |
|---|---|
| Name | DEGRADANT_1;TRANS_ROTAMER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H79N5O12 |
| InChI | InChI=1S/C52H79N5O12/c1-32(16-12-11-13-17-34(3)44(66-8)30-40-22-20-38(7)52(65,69-40)49(61)50(62)56-25-15-14-18-42(56)51(63)64)26-36(5)46(59)48(68-10)47(60)37(6)28-35(4)43(58)24-19-33(2)27-39-21-23-41(45(29-39)67-9)57-31-53-54-55-57/h11-13,16-17,19,24,28,31-33,35-36,38-42,44-45,47-48,60,65H,14-15,18,20-23,25-27,29-30H2,1-10H3,(H,63,64)/b13-11+,16-12+,24-19+,34-17+,37-28+/t32-,33+,35+,36-,38-,39-,40?,41-,42?,44+,45+,47+,48-,52-/m1/s1 |
| InChIKey | QGWFCBZMORYSSG-PPIWGTLASA-N |
| Literature Reference Author | Q.CHEN,D.ZIELINSKI,J.CHEN,S.NOWAK,C.C.ZHOU |
| Literature Reference Citation | J.PHARM.BIOM.ANAL.,50,778(2009) |
| Literature Reference DOI | 10.1016/j.jpba.2009.06.024 |
| Molecular Weight | 966.226 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ44228 |