| SpectraBase Compound ID | BJTCNJ4LWkN |
|---|---|
| InChI | InChI=1S/C49H64O19/c1-23-31-15-16-36-46(11)20-34(61-25(3)51)43(49(14,59)38(62-26(4)52)17-18-45(9,10)58)47(46,12)21-37(57)48(36,13)32(31)19-33(39(23)63-27(5)53)67-44-42(66-30(8)56)41(65-29(7)55)40(64-28(6)54)35(68-44)22-60-24(2)50/h15-19,34-36,38,40-44,58-59H,20-22H2,1-14H3/b18-17+/t34-,35+,36?,38?,40+,41-,42+,43?,44+,46?,47?,48?,49?/m1/s1 |
| InChIKey | XEGKJNUPJLALBY-RAOYDQPGSA-N |
| Mol Weight | 957.0 g/mol |
| Molecular Formula | C49H64O19 |
| Exact Mass | 956.40418 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oN8jSCgwP6 |
|---|---|
| Name | XEGKJNUPJLALBY-RAOYDQPGSA-N |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H64O19 |
| InChI | InChI=1S/C49H64O19/c1-23-31-15-16-36-46(11)20-34(61-25(3)51)43(49(14,59)38(62-26(4)52)17-18-45(9,10)58)47(46,12)21-37(57)48(36,13)32(31)19-33(39(23)63-27(5)53)67-44-42(66-30(8)56)41(65-29(7)55)40(64-28(6)54)35(68-44)22-60-24(2)50/h15-19,34-36,38,40-44,58-59H,20-22H2,1-14H3/b18-17+/t34-,35+,36?,38?,40+,41-,42+,43?,44+,46?,47?,48?,49?/m1/s1 |
| InChIKey | XEGKJNUPJLALBY-RAOYDQPGSA-N |
| Literature Reference Author | M.E.O.MATOS,M.I.L.MACHADO,F.J.A.MATOS,R.BRAZ-FILHO |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,4,143(1993) |
| Literature Reference DOI | 10.5935/0103-5053.19930031 |
| Molecular Weight | 957.036 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU5637 |