| SpectraBase Compound ID | 9uigCcWATRH |
|---|---|
| InChI | InChI=1S/C29H36N4O11S2/c34-12-8-22-20(14-26(43-22)32-10-6-24(35)30-28(32)37)17-45(39,40)13-9-23-21(18-46(41,42)16-19-4-2-1-3-5-19)15-27(44-23)33-11-7-25(36)31-29(33)38/h1-7,10-11,20-23,26-27,34H,8-9,12-18H2,(H,30,35,37)(H,31,36,38)/t20-,21-,22-,23-,26-,27-/m0/s1 |
| InChIKey | LJTUCUJARKCZAM-JJAANBCZSA-N |
| Mol Weight | 680.7 g/mol |
| Molecular Formula | C29H36N4O11S2 |
| Exact Mass | 680.1822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I8Z1AhEcVbL |
|---|---|
| Name | LJTUCUJARKCZAM-JJAANBCZSA-N |
| Compound Number | 65 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36N4O11S2 |
| InChI | InChI=1S/C29H36N4O11S2/c34-12-8-22-20(14-26(43-22)32-10-6-24(35)30-28(32)37)17-45(39,40)13-9-23-21(18-46(41,42)16-19-4-2-1-3-5-19)15-27(44-23)33-11-7-25(36)31-29(33)38/h1-7,10-11,20-23,26-27,34H,8-9,12-18H2,(H,30,35,37)(H,31,36,38)/t20-,21-,22-,23-,26-,27-/m0/s1 |
| InChIKey | LJTUCUJARKCZAM-JJAANBCZSA-N |
| Literature Reference Author | Z.HUANG,S.A.BENNER |
| Literature Reference Citation | J.ORG.CHEM.,67,3996(2002) |
| Literature Reference DOI | 10.1021/jo0003910 |
| Molecular Weight | 680.745 g/mol |
| Solvent | CD3OD:ACETONE-D6=1:3 |
| Source File Reference | UWLU26108 |