| SpectraBase Compound ID | AEZxtt1Wjyn |
|---|---|
| InChI | InChI=1S/C34H48N6O7/c1-8-18(6)28-32(44)38-27(17(4)5)31(43)37-24(34(46)47-7)14-20-15-35-23-13-19(9-10-21(20)23)26(16(2)3)29(33(45)39-28)40-30(42)22-11-12-25(41)36-22/h9-10,13,15-18,22,24,26-29,35H,8,11-12,14H2,1-7H3,(H,36,41)(H,37,43)(H,38,44)(H,39,45)(H,40,42)/t18?,22?,24-,26+,27-,28-,29-/m0/s1 |
| InChIKey | CWILFDGRBJFHPV-VKMQGWEMSA-N |
| Mol Weight | 652.8 g/mol |
| Molecular Formula | C34H48N6O7 |
| Exact Mass | 652.358448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEgCcc4qTyY |
|---|---|
| Name | METHYL-STEPHANOATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48N6O7 |
| InChI | InChI=1S/C34H48N6O7/c1-8-18(6)28-32(44)38-27(17(4)5)31(43)37-24(34(46)47-7)14-20-15-35-23-13-19(9-10-21(20)23)26(16(2)3)29(33(45)39-28)40-30(42)22-11-12-25(41)36-22/h9-10,13,15-18,22,24,26-29,35H,8,11-12,14H2,1-7H3,(H,36,41)(H,37,43)(H,38,44)(H,39,45)(H,40,42)/t18?,22?,24-,26+,27-,28-,29-/m0/s1 |
| InChIKey | CWILFDGRBJFHPV-VKMQGWEMSA-N |
| Literature Reference Author | K.YOSHIKAWA,S.TAO,S.ARIHARA |
| Literature Reference Citation | J.NAT.PROD.,63,540(2000) |
| Literature Reference DOI | 10.1021/np990532x |
| Molecular Weight | 652.791 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP8809 |