| SpectraBase Compound ID | 25vFBmyUk5h |
|---|---|
| InChI | InChI=1S/C33H38N6O8S2.2ClH/c1-32(2)22(38-26(42)20(28(38)48-32)36-24(40)18(34)16-11-7-5-8-12-16)30(44)46-15-47-31(45)23-33(3,4)49-29-21(27(43)39(23)29)37-25(41)19(35)17-13-9-6-10-14-17;;/h5-14,18-23,28-29H,15,34-35H2,1-4H3,(H,36,40)(H,37,41);2*1H/t18-,19-,20+,21+,22-,23?,28?,29?;;/m0../s1 |
| InChIKey | VKTFKNAJWDEIPP-HRUVERAVSA-N |
| Mol Weight | 783.74 g/mol |
| Molecular Formula | C33H40Cl2N6O8S2 |
| Exact Mass | 782.17261 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5qSzDaB0aY3 |
|---|---|
| Name | DIAMPICILLYLMETHANE-DIHYDROCHLORIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40Cl2N6O8S2 |
| InChI | InChI=1S/C33H38N6O8S2.2ClH/c1-32(2)22(38-26(42)20(28(38)48-32)36-24(40)18(34)16-11-7-5-8-12-16)30(44)46-15-47-31(45)23-33(3,4)49-29-21(27(43)39(23)29)37-25(41)19(35)17-13-9-6-10-14-17;;/h5-14,18-23,28-29H,15,34-35H2,1-4H3,(H,36,40)(H,37,41);2*1H/t18-,19-,20+,21+,22-,23?,28?,29?;;/m0../s1 |
| InChIKey | VKTFKNAJWDEIPP-HRUVERAVSA-N |
| Literature Reference Author | I.PATERNOTTE,H.J.FAN,P.SCREVE,M.CLAESEN,P.M.TULKENS,E.SONVEA UX |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,493(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00255-8 |
| Molecular Weight | 783.742 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU21789 |