| SpectraBase Compound ID | Iud0Tj5prnl |
|---|---|
| InChI | InChI=1S/C41H62O8/c1-23(2)29-20-32(42)26(5)12-10-11-24(3)18-33(43)30-19-28(7)38-31(41(30,22-34(29)44)39(46)48-9)17-25(4)13-15-36-27(6)14-16-37(49-36)40(8,47)21-35(38)45/h14,17,23-24,26,29-31,35-37,45,47H,10-13,15-16,18-22H2,1-9H3/b25-17+/t24-,26+,29-,30+,31-,35+,36-,37+,40-,41+/m1/s1 |
| InChIKey | JXKZNYNPSVPPHD-FCKTVZGXSA-N |
| Mol Weight | 682.9 g/mol |
| Molecular Formula | C41H62O8 |
| Exact Mass | 682.444469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20UhRR1THBr |
|---|---|
| Name | METHYL-TORTUOATE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H62O8 |
| InChI | InChI=1S/C41H62O8/c1-23(2)29-20-32(42)26(5)12-10-11-24(3)18-33(43)30-19-28(7)38-31(41(30,22-34(29)44)39(46)48-9)17-25(4)13-15-36-27(6)14-16-37(49-36)40(8,47)21-35(38)45/h14,17,23-24,26,29-31,35-37,45,47H,10-13,15-16,18-22H2,1-9H3/b25-17+/t24-,26+,29-,30+,31-,35+,36-,37+,40-,41+/m1/s1 |
| InChIKey | JXKZNYNPSVPPHD-FCKTVZGXSA-N |
| Literature Reference Author | L.M.ZENG,W.J.LAN,J.Y.SU,G.W.ZHANG,X.L.FENG,Y.J.LIANG,X.P.YAN G |
| Literature Reference Citation | J.NAT.PROD.,67,1915(2004) |
| Literature Reference DOI | 10.1021/np0400151 |
| Molecular Weight | 682.938 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ6773 |