| SpectraBase Compound ID | 9sa37jlnUAC |
|---|---|
| InChI | InChI=1S/C42H50O14/c1-25-34(51-17-9-12-29-18-30(19-33(48-3)56-29)52-21-27-13-15-28(47-2)16-14-27)35-37-40(31(43)20-32(44)41(37,23-53-35)38(45)49-4)24-55-42(36(25)40,39(46)50-5)54-22-26-10-7-6-8-11-26/h6-8,10-11,13-16,29-33,35-37,43-44H,17-24H2,1-5H3/t29-,30-,31+,32-,33+,35+,36+,37-,40-,41+,42+/m1/s1 |
| InChIKey | QHWHVBQQAUZGJK-QOURCNECSA-N |
| Mol Weight | 778.8 g/mol |
| Molecular Formula | C42H50O14 |
| Exact Mass | 778.320056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QRXr5IWvD3 |
|---|---|
| Name | QHWHVBQQAUZGJK-QOURCNECSA-N |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H50O14 |
| InChI | InChI=1S/C42H50O14/c1-25-34(51-17-9-12-29-18-30(19-33(48-3)56-29)52-21-27-13-15-28(47-2)16-14-27)35-37-40(31(43)20-32(44)41(37,23-53-35)38(45)49-4)24-55-42(36(25)40,39(46)50-5)54-22-26-10-7-6-8-11-26/h6-8,10-11,13-16,29-33,35-37,43-44H,17-24H2,1-5H3/t29-,30-,31+,32-,33+,35+,36+,37-,40-,41+,42+/m1/s1 |
| InChIKey | QHWHVBQQAUZGJK-QOURCNECSA-N |
| Literature Reference Author | T.DURAND-REVILLE,L.B.GOBBI,B.L.GRAY,S.V.LEY,J.S.SCOTT |
| Literature Reference Citation | ORG.LETTERS,4,3847(2002) |
| Literature Reference DOI | 10.1021/ol0201557 |
| Molecular Weight | 778.851 g/mol |
| Sample ID | 33584 |
| Solvent | Unknown |