![#12;N-[(1R,2R)-1-[[BIS-(4-METHOXYPHENYL)-PHENYLMETHOXY]-METHYL]-2-[2-CYANOETHOXYDIISOPROPYLAMINO)-PHOSPHANYL]-OXYPROPYL]-4-(DITHIOLAN-3-YL)-BUTANAMIDE](/api/spectrum/32Mv1DEm7IW/structure.png?h=300&w=458 "#12;N-[(1R,2R)-1-[[BIS-(4-METHOXYPHENYL)-PHENYLMETHOXY]-METHYL]-2-[2-CYANOETHOXYDIISOPROPYLAMINO)-PHOSPHANYL]-OXYPROPYL]-4-(DITHIOLAN-3-YL)-BUTANAMIDE")
| SpectraBase Compound ID | 7HBuYxHTHHE |
|---|---|
| InChI | InChI=1S/C42H58N3O6PS2/c1-31(2)45(32(3)4)52(50-28-13-27-43)51-33(5)40(44-41(46)17-12-11-16-39-26-29-53-54-39)30-49-42(34-14-9-8-10-15-34,35-18-22-37(47-6)23-19-35)36-20-24-38(48-7)25-21-36/h8-10,14-15,18-25,31-33,39-40H,11-13,16-17,26,28-30H2,1-7H3,(H,44,46)/t33-,39?,40-,52?/m1/s1 |
| InChIKey | HGUICGJOPVKELG-NAWMBHOSSA-N |
| Mol Weight | 796.0 g/mol |
| Molecular Formula | C42H58N3O6PS2 |
| Exact Mass | 795.350466 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32Mv1DEm7IW |
|---|---|
| Name | #12;N-[(1R,2R)-1-[[BIS-(4-METHOXYPHENYL)-PHENYLMETHOXY]-METHYL]-2-[2-CYANOETHOXYDIISOPROPYLAMINO)-PHOSPHANYL]-OXYPROPYL]-4-(DITHIOLAN-3-YL)-BUTANAMIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58N3O6PS2 |
| InChI | InChI=1S/C42H58N3O6PS2/c1-31(2)45(32(3)4)52(50-28-13-27-43)51-33(5)40(44-41(46)17-12-11-16-39-26-29-53-54-39)30-49-42(34-14-9-8-10-15-34,35-18-22-37(47-6)23-19-35)36-20-24-38(48-7)25-21-36/h8-10,14-15,18-25,31-33,39-40H,11-13,16-17,26,28-30H2,1-7H3,(H,44,46)/t33-,39?,40-,52?/m1/s1 |
| InChIKey | HGUICGJOPVKELG-NAWMBHOSSA-N |
| Literature Reference Author | S.PEREZ-RENTERO,S.GRIJALVO,G.PENUELAS,C.FABREGA,R.ERITJA |
| Literature Reference Citation | MOLECULES,19,10495(2014) |
| Literature Reference DOI | 10.3390/molecules190710495 |
| Solvent | CDCl3 |
| Source File Reference | UWIR15304 |