| SpectraBase Compound ID | EaTDh55eQ5s |
|---|---|
| InChI | InChI=1S/C44H52N12O14P2/c1-25-5-10-29(50-41(60)27-8-6-26(7-9-27)19-54-16-14-53(2)15-17-54)18-31(25)52-44-46-12-11-30(51-44)28-4-3-13-55(20-28)42-37(59)35(57)32(68-42)21-66-72(64,65)67-22-33-36(58)38(70-71(61,62)63)43(69-33)56-24-49-34-39(45)47-23-48-40(34)56/h3-13,18,20,23-24,32-33,35-38,42-43,57-59H,14-17,19,21-22H2,1-2H3,(H6-,45,46,47,48,50,51,52,60,61,62,63,64,65)/p+1/t32-,33-,35-,36-,37-,38-,42-,43-/m0/s1 |
| InChIKey | PJJKPGVEMTZBJK-QDIINFBHSA-O |
| Mol Weight | 1035.9 g/mol |
| Molecular Formula | C44H53N12O14P2 |
| Exact Mass | 1035.327943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvpGwgtDOD6 |
|---|---|
| Name | PJJKPGVEMTZBJK-QDIINFBHSA-O |
| Compound Number | M2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H50N12O14P2 |
| InChI | InChI=1S/C44H52N12O14P2/c1-25-5-10-29(50-41(60)27-8-6-26(7-9-27)19-54-16-14-53(2)15-17-54)18-31(25)52-44-46-12-11-30(51-44)28-4-3-13-55(20-28)42-37(59)35(57)32(68-42)21-66-72(64,65)67-22-33-36(58)38(70-71(61,62)63)43(69-33)56-24-49-34-39(45)47-23-48-40(34)56/h3-13,18,20,23-24,32-33,35-38,42-43,57-59H,14-17,19,21-22H2,1-2H3,(H6-,45,46,47,48,50,51,52,60,61,62,63,64,65)/p+1/t32-,33-,35-,36-,37-,38-,42-,43-/m0/s1 |
| InChIKey | PJJKPGVEMTZBJK-QDIINFBHSA-O |
| Literature Reference Author | S.MA,R.SUBRAMANIAN,Y.XU,M.SCHRAG,M.SHOU |
| Literature Reference Citation | DRUG.MET.DISP.,36,2414(2008) |
| Literature Reference DOI | 10.1124/dmd.108.023085 |
| Molecular Weight | 1032.901 g/mol |
| Source File Reference | UWLU74111 |