| SpectraBase Compound ID | CSEYVt08k4K |
|---|---|
| InChI | InChI=1S/C52H82O22/c1-23-38(71-33(60)19-47(4,67)18-32(58)59)39(72-42-36(63)34(61)27(55)20-68-42)37(64)43(70-23)73-40-35(62)28(56)21-69-44(40)74-45(66)52-14-13-46(2,3)15-25(52)24-9-10-30-48(5)16-26(54)41(65)49(6,22-53)29(48)11-12-50(30,7)51(24,8)17-31(52)57/h9,23,25-31,34-44,53-57,61-65,67H,10-22H2,1-8H3,(H,58,59)/t23-,25?,26-,27?,28-,29?,30?,31+,34?,35-,36?,37+,38-,39-,40+,41-,42?,43-,44-,47?,48-,49-,50+,51+,52+/m0/s1 |
| InChIKey | GJDSDPOVSPCMLF-XOPZNVRGSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C52H82O22 |
| Exact Mass | 1058.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JrSv0hWg0P9 |
|---|---|
| Name | GJDSDPOVSPCMLF-XOPZNVRGSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O22 |
| InChI | InChI=1S/C52H82O22/c1-23-38(71-33(60)19-47(4,67)18-32(58)59)39(72-42-36(63)34(61)27(55)20-68-42)37(64)43(70-23)73-40-35(62)28(56)21-69-44(40)74-45(66)52-14-13-46(2,3)15-25(52)24-9-10-30-48(5)16-26(54)41(65)49(6,22-53)29(48)11-12-50(30,7)51(24,8)17-31(52)57/h9,23,25-31,34-44,53-57,61-65,67H,10-22H2,1-8H3,(H,58,59)/t23-,25?,26-,27?,28-,29?,30?,31+,34?,35-,36?,37+,38-,39-,40+,41-,42?,43-,44-,47?,48-,49-,50+,51+,52+/m0/s1 |
| InChIKey | GJDSDPOVSPCMLF-XOPZNVRGSA-N |
| Literature Reference Author | R.KASAI,M.MIYAKOSHI,R.L.NIE,J.ZHOU,K.MATSUMOTO,T.MORITA,M.NI SHI,K.MIYAHARA,O.TAN |
| Literature Reference Citation | PHYTOCHEM.,27,1439(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80212-7 |
| Molecular Weight | 1059.210 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK566 |