![N-[(N-CHLORAMBUCILAMINO)-UNDECANOYL]-META-HYDROXYPHENYL-L-PARA-TYROSINAMIDE](/api/spectrum/GsPipAhctec/structure.png?h=300&w=458 "N-[(N-CHLORAMBUCILAMINO)-UNDECANOYL]-META-HYDROXYPHENYL-L-PARA-TYROSINAMIDE")
| SpectraBase Compound ID | 545YK003RjU |
|---|---|
| InChI | InChI=1S/C40H54Cl2N4O5/c41-24-27-46(28-25-42)34-20-16-31(17-21-34)11-9-15-38(49)43-26-8-6-4-2-1-3-5-7-14-39(50)45-37(29-32-18-22-35(47)23-19-32)40(51)44-33-12-10-13-36(48)30-33/h10,12-13,16-23,30,37,47-48H,1-9,11,14-15,24-29H2,(H,43,49)(H,44,51)(H,45,50)/t37-/m0/s1 |
| InChIKey | SQVJBQXHZGZOQO-QNGWXLTQSA-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 | GsPipAhctec |
|---|---|
| Name | N-[(N-CHLORAMBUCILAMINO)-UNDECANOYL]-META-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/c41-24-27-46(28-25-42)34-20-16-31(17-21-34)11-9-15-38(49)43-26-8-6-4-2-1-3-5-7-14-39(50)45-37(29-32-18-22-35(47)23-19-32)40(51)44-33-12-10-13-36(48)30-33/h10,12-13,16-23,30,37,47-48H,1-9,11,14-15,24-29H2,(H,43,49)(H,44,51)(H,45,50)/t37-/m0/s1 |
| InChIKey | SQVJBQXHZGZOQO-QNGWXLTQSA-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 | 70579 |
| Solvent | ACETONE-D6 |