| SpectraBase Compound ID | 5XVsajSIqXm |
|---|---|
| InChI | InChI=1S/C31H46O7/c1-8-11-21(5)29-31(38-29)30-22(6)16-18(2)13-10-15-24(32)27(35)23(7)28(36)26(34)20(4)14-9-12-19(3)17-25(33)37-30/h9-10,12,15,17,21-22,24,26-32,34-36H,2,4,7-8,11,13-14,16H2,1,3,5-6H3/b12-9+,15-10+,19-17+/t21-,22+,24-,26+,27-,28+,29-,30-,31+/m0/s1 |
| InChIKey | NFOKXEYWZUZJRF-VKYHTMFCSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C31H46O7 |
| Exact Mass | 530.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fu3y9OqXKFK |
|---|---|
| Name | ISOMER |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O7 |
| InChI | InChI=1S/C31H46O7/c1-8-11-21(5)29-31(38-29)30-22(6)16-18(2)13-10-15-24(32)27(35)23(7)28(36)26(34)20(4)14-9-12-19(3)17-25(33)37-30/h9-10,12,15,17,21-22,24,26-32,34-36H,2,4,7-8,11,13-14,16H2,1,3,5-6H3/b12-9+,15-10+,19-17+/t21-,22+,24-,26+,27-,28+,29-,30-,31+/m0/s1 |
| InChIKey | NFOKXEYWZUZJRF-VKYHTMFCSA-N |
| Literature Reference Author | B.M.TROST,P.E.HARRINGTON |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,5028(2004) |
| Literature Reference DOI | 10.1021/ja049292k |
| Molecular Weight | 530.702 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN32084 |