![N-[(N-CHLORAMBUCILAMINO)-HEXANOYL]-META-HYDROXYPHENYL-L-PARA-TYROSINAMIDE](/api/spectrum/8QEaTVvzJil/structure.png?h=300&w=458 "N-[(N-CHLORAMBUCILAMINO)-HEXANOYL]-META-HYDROXYPHENYL-L-PARA-TYROSINAMIDE")
| SpectraBase Compound ID | 1zD0yeaE74C |
|---|---|
| InChI | InChI=1S/C35H44Cl2N4O5/c36-19-22-41(23-20-37)29-15-11-26(12-16-29)6-4-10-33(44)38-21-3-1-2-9-34(45)40-32(24-27-13-17-30(42)18-14-27)35(46)39-28-7-5-8-31(43)25-28/h5,7-8,11-18,25,32,42-43H,1-4,6,9-10,19-24H2,(H,38,44)(H,39,46)(H,40,45)/t32-/m1/s1 |
| InChIKey | QHRUFOAOVRYBGG-JGCGQSQUSA-N |
| Mol Weight | 671.7 g/mol |
| Molecular Formula | C35H44Cl2N4O5 |
| Exact Mass | 670.268876 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8QEaTVvzJil |
|---|---|
| Name | N-[(N-CHLORAMBUCILAMINO)-HEXANOYL]-META-HYDROXYPHENYL-L-PARA-TYROSINAMIDE |
| Compound Number | ISOMER-OF-#6-(M=5) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44Cl2N4O5 |
| InChI | InChI=1S/C35H44Cl2N4O5/c36-19-22-41(23-20-37)29-15-11-26(12-16-29)6-4-10-33(44)38-21-3-1-2-9-34(45)40-32(24-27-13-17-30(42)18-14-27)35(46)39-28-7-5-8-31(43)25-28/h5,7-8,11-18,25,32,42-43H,1-4,6,9-10,19-24H2,(H,38,44)(H,39,46)(H,40,45)/t32-/m1/s1 |
| InChIKey | QHRUFOAOVRYBGG-JGCGQSQUSA-N |
| Literature Reference Author | C.DESCOTEAUX,K.BRASSEUR,V.LEBLANC,S.PARENT,E.ASSELIN,G.BERUB E |
| Literature Reference Citation | STEROIDS,77,403(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2011.12.021 |
| Molecular Weight | 671.664 g/mol |
| Sample ID | 70578 |
| Solvent | ACETONE-D6 |