| SpectraBase Compound ID | 4NxfdcHmbrQ |
|---|---|
| InChI | InChI=1S/C29H46N7O19P3S/c1-15(2)28(42)52-16(3)10-19(38)59-9-8-31-18(37)6-7-32-26(41)23(40)29(4,5)12-51-58(48,49)55-57(46,47)50-11-17-22(54-56(43,44)45)21(39)27(53-17)36-14-35-20-24(30)33-13-34-25(20)36/h13-15,17,21-23,27,39-40H,3,6-12H2,1-2,4-5H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,21-,22-,23-,27-/m0/s1/i3+1,16+1 |
| InChIKey | PFQPQLHGZGJIFG-RWQKCNEHSA-N |
| Mol Weight | 923.7 g/mol |
| Molecular Formula | C2713C2H46N7O19P3S |
| Exact Mass | 923.184914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1j3kdiKVoRD |
|---|---|
| Name | PFQPQLHGZGJIFG-RWQKCNEHSA-N |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42N7O19P3S |
| InChI | InChI=1S/C29H46N7O19P3S/c1-15(2)28(42)52-16(3)10-19(38)59-9-8-31-18(37)6-7-32-26(41)23(40)29(4,5)12-51-58(48,49)55-57(46,47)50-11-17-22(54-56(43,44)45)21(39)27(53-17)36-14-35-20-24(30)33-13-34-25(20)36/h13-15,17,21-23,27,39-40H,3,6-12H2,1-2,4-5H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,21-,22-,23-,27-/m0/s1/i3+1,16+1 |
| InChIKey | PFQPQLHGZGJIFG-RWQKCNEHSA-N |
| Literature Reference Author | S.DAKOJI,I.SHIN,D.F.BECKER,M.T.STANKOVICH,H.W.LIU |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,10971(1996) |
| Literature Reference DOI | 10.1021/ja962532e |
| Molecular Weight | 917.669 g/mol |
| Sample ID | 53543 |
| Solvent | D2O |