![N-[(N-CHLORAMBUCILAMINO)-UNDECANOYL]-ORTHO-HYDROXYPHENYL-L-PARA-TYROSINAMIDE](/api/spectrum/Cd9Ryc4geVL/structure.png?h=300&w=458 "N-[(N-CHLORAMBUCILAMINO)-UNDECANOYL]-ORTHO-HYDROXYPHENYL-L-PARA-TYROSINAMIDE")
| SpectraBase Compound ID | GV28MQllVqJ |
|---|---|
| InChI | InChI=1S/C40H54Cl2N4O5/c41-25-28-46(29-26-42)33-21-17-31(18-22-33)12-11-16-38(49)43-27-10-6-4-2-1-3-5-7-15-39(50)44-36(30-32-19-23-34(47)24-20-32)40(51)45-35-13-8-9-14-37(35)48/h8-9,13-14,17-24,36,47-48H,1-7,10-12,15-16,25-30H2,(H,43,49)(H,44,50)(H,45,51)/t36-/m0/s1 |
| InChIKey | CPUCVEGRURWVMI-BHVANESWSA-N |
| Mol Weight | 741.8 g/mol |
| Molecular Formula | C40H54Cl2N4O5 |
| Exact Mass | 740.347126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cd9Ryc4geVL |
|---|---|
| Name | N-[(N-CHLORAMBUCILAMINO)-UNDECANOYL]-ORTHO-HYDROXYPHENYL-L-PARA-TYROSINAMIDE |
| Compound Number | ISOMER-OF-#6-(M=10) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54Cl2N4O5 |
| InChI | InChI=1S/C40H54Cl2N4O5/c41-25-28-46(29-26-42)33-21-17-31(18-22-33)12-11-16-38(49)43-27-10-6-4-2-1-3-5-7-15-39(50)44-36(30-32-19-23-34(47)24-20-32)40(51)45-35-13-8-9-14-37(35)48/h8-9,13-14,17-24,36,47-48H,1-7,10-12,15-16,25-30H2,(H,43,49)(H,44,50)(H,45,51)/t36-/m0/s1 |
| InChIKey | CPUCVEGRURWVMI-BHVANESWSA-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 | 741.799 g/mol |
| Sample ID | 70581 |
| Solvent | ACETONE-D6 |