| SpectraBase Compound ID | HQb47S4ZICL |
|---|---|
| InChI | InChI=1S/C50H68O10/c1-15-17-55-33-27-19-31(41(3,4)5)20-28(33)24-46-36(52)48(40(60-48)50(54,38(46)58-46)44(12,13)14)26-30-22-32(42(6,7)8)21-29(34(30)56-18-16-2)25-47-35(51)45(23-27)37(57-45)49(53,39(47)59-47)43(9,10)11/h19-22,37-40,53-54H,15-18,23-26H2,1-14H3/t37-,38-,39+,40+,45-,46-,47+,48+,49-,50- |
| InChIKey | GPDMYGAUJFATRW-KYHZHAEISA-N |
| Mol Weight | 829.1 g/mol |
| Molecular Formula | C50H68O10 |
| Exact Mass | 828.481248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bObFvR2Ycu |
|---|---|
| Name | GPDMYGAUJFATRW-KYHZHAEISA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H68O10 |
| InChI | InChI=1S/C50H68O10/c1-15-17-55-33-27-19-31(41(3,4)5)20-28(33)24-46-36(52)48(40(60-48)50(54,38(46)58-46)44(12,13)14)26-30-22-32(42(6,7)8)21-29(34(30)56-18-16-2)25-47-35(51)45(23-27)37(57-45)49(53,39(47)59-47)43(9,10)11/h19-22,37-40,53-54H,15-18,23-26H2,1-14H3/t37-,38-,39+,40+,45-,46-,47+,48+,49-,50- |
| InChIKey | GPDMYGAUJFATRW-KYHZHAEISA-N |
| Literature Reference Author | C.GAETA,F.TROISI,M.MARTINO,E.GAVUZZO,P.NERI |
| Literature Reference Citation | ORG.LETTERS,6,3027(2004) |
| Literature Reference DOI | 10.1021/ol048992r |
| Molecular Weight | 829.084 g/mol |
| Sample ID | 34433 |
| Solvent | CDCl3 |