| SpectraBase Compound ID | A4KQI3ZdZw6 |
|---|---|
| InChI | InChI=1S/C48H75ClN6O12/c1-24(2)19-32(50-11)44(60)53-40-29(10)66-48(64)35(22-30-16-17-37(65-13)31(49)21-30)54(12)47(63)34-15-14-18-55(34)46(62)33(20-25(3)4)51-43(59)28(9)41(58)42(27(7)8)67-38(57)23-36(56)39(26(5)6)52-45(40)61/h16-17,21,24-29,32-36,39-40,42,50,56H,14-15,18-20,22-23H2,1-13H3,(H,51,59)(H,52,61)(H,53,60)/t28-,29-,32?,33-,34-,35-,36-,39+,40-,42-/m0/s1 |
| InChIKey | BTWLROMYUQIGOM-JGGRGARKSA-N |
| Mol Weight | 963.6 g/mol |
| Molecular Formula | C48H75ClN6O12 |
| Exact Mass | 962.51315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LH4lMpPw0gc |
|---|---|
| Name | NOR-N,O-DIMETHYL-O-CHLOROTYROSINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H75ClN6O12 |
| InChI | InChI=1S/C48H75ClN6O12/c1-24(2)19-32(50-11)44(60)53-40-29(10)66-48(64)35(22-30-16-17-37(65-13)31(49)21-30)54(12)47(63)34-15-14-18-55(34)46(62)33(20-25(3)4)51-43(59)28(9)41(58)42(27(7)8)67-38(57)23-36(56)39(26(5)6)52-45(40)61/h16-17,21,24-29,32-36,39-40,42,50,56H,14-15,18-20,22-23H2,1-13H3,(H,51,59)(H,52,61)(H,53,60)/t28-,29-,32?,33-,34-,35-,36-,39+,40-,42-/m0/s1 |
| InChIKey | BTWLROMYUQIGOM-JGGRGARKSA-N |
| Literature Reference Author | S.ANKISETTY,S.I.KHAN,B.AVULA,D.GOCHFELD,I.A.KHAN,M.SLATTERY |
| Literature Reference Citation | MAR.DRUGS,11,4478(2013) |
| Literature Reference DOI | 10.3390/md11114478 |
| Molecular Weight | 963.609 g/mol |
| Source File Reference | UWBT6659 |