| SpectraBase Compound ID | GzcyntoSdwN |
|---|---|
| InChI | InChI=1S/2C20H27N3O7S/c2*1-17(2)29-11-18(3,30-17)14(24)20-16(26)22-19(27,15(25)23-20)12(7-9-28-20)10-31-13-6-4-5-8-21-13/h2*4-6,8,12,14,24,27H,7,9-11H2,1-3H3,(H,22,26)(H,23,25)/t12-,14+,18-,19+,20-;12-,14-,18-,19-,20+/m01/s1 |
| InChIKey | VKKCXLRZGDPEMC-IKDXKCGOSA-N |
| Mol Weight | 907.02 g/mol |
| Molecular Formula | C40H54N6O14S2 |
| Exact Mass | 906.313943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2qWDBPhTPz |
|---|---|
| Name | VKKCXLRZGDPEMC-IKDXKCGOSA-N |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54N6O14S2 |
| InChI | InChI=1S/2C20H27N3O7S/c2*1-17(2)29-11-18(3,30-17)14(24)20-16(26)22-19(27,15(25)23-20)12(7-9-28-20)10-31-13-6-4-5-8-21-13/h2*4-6,8,12,14,24,27H,7,9-11H2,1-3H3,(H,22,26)(H,23,25)/t12-,14+,18-,19+,20-;12-,14-,18-,19-,20+/m01/s1 |
| InChIKey | VKKCXLRZGDPEMC-IKDXKCGOSA-N |
| Literature Reference Author | M.A.VELA,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,57,5223(1992) |
| Literature Reference DOI | 10.1021/jo00045a041 |
| Molecular Weight | 907.021 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS3000 |