| SpectraBase Compound ID | 5Z34UCrZdWI |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-37(19-44)12-14-42(36(54)58-34-32(51)30(49)28(47)23(57-34)18-55-33-31(50)29(48)27(46)22(17-43)56-33)15-13-39(3)20(21(42)16-37)6-7-24-38(2)10-9-26(45)41(5,35(52)53)25(38)8-11-40(24,39)4/h6,21-34,43-51H,7-19H2,1-5H3,(H,52,53)/t21-,22+,23+,24?,25?,26-,27-,28+,29-,30-,31+,32+,33+,34-,37+,38+,39+,40+,41-,42-/m0/s1 |
| InChIKey | VFGTXIPJRALTGK-JEDCFKRDSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H66O16 |
| Exact Mass | 826.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KUSMGlry3Db |
|---|---|
| Name | VFGTXIPJRALTGK-JEDCFKRDSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-37(19-44)12-14-42(36(54)58-34-32(51)30(49)28(47)23(57-34)18-55-33-31(50)29(48)27(46)22(17-43)56-33)15-13-39(3)20(21(42)16-37)6-7-24-38(2)10-9-26(45)41(5,35(52)53)25(38)8-11-40(24,39)4/h6,21-34,43-51H,7-19H2,1-5H3,(H,52,53)/t21-,22+,23+,24?,25?,26-,27-,28+,29-,30-,31+,32+,33+,34-,37+,38+,39+,40+,41-,42-/m0/s1 |
| InChIKey | VFGTXIPJRALTGK-JEDCFKRDSA-N |
| Literature Reference Author | M.H.A.ELGAMAL,H.S.M.SOLIMAN,G.TOTH,J.HALASZ,H.DUDDECK |
| Literature Reference Citation | MAGN.RES.CHEM.,34,697(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199609)34:9<697::aid-omr959>3.0.co;2-n |
| Molecular Weight | 826.976 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP485 |