![N-[(N-CHLORAMBUCILAMINO)-HEXANOYL]-ORTHO-HYDROXYPHENYL-L-PARA-TYROSINAMIDE](/api/spectrum/CRAN58jzU7L/structure.png?h=300&w=458 "N-[(N-CHLORAMBUCILAMINO)-HEXANOYL]-ORTHO-HYDROXYPHENYL-L-PARA-TYROSINAMIDE")
| SpectraBase Compound ID | A1a6H7Uu6YR |
|---|---|
| InChI | InChI=1S/C35H44Cl2N4O5/c36-20-23-41(24-21-37)28-16-12-26(13-17-28)7-6-11-33(44)38-22-5-1-2-10-34(45)39-31(25-27-14-18-29(42)19-15-27)35(46)40-30-8-3-4-9-32(30)43/h3-4,8-9,12-19,31,42-43H,1-2,5-7,10-11,20-25H2,(H,38,44)(H,39,45)(H,40,46)/t31-/m1/s1 |
| InChIKey | JKTRZNSDAKKAQB-WJOKGBTCSA-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 | CRAN58jzU7L |
|---|---|
| Name | N-[(N-CHLORAMBUCILAMINO)-HEXANOYL]-ORTHO-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/c36-20-23-41(24-21-37)28-16-12-26(13-17-28)7-6-11-33(44)38-22-5-1-2-10-34(45)39-31(25-27-14-18-29(42)19-15-27)35(46)40-30-8-3-4-9-32(30)43/h3-4,8-9,12-19,31,42-43H,1-2,5-7,10-11,20-25H2,(H,38,44)(H,39,45)(H,40,46)/t31-/m1/s1 |
| InChIKey | JKTRZNSDAKKAQB-WJOKGBTCSA-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 | 70580 |
| Solvent | ACETONE-D6 |