| SpectraBase Compound ID | 3AuZElQJLuX |
|---|---|
| InChI | InChI=1S/C42H64O17/c1-37(2,54)12-11-25(46)42(8,55)33-20(45)14-39(5)24-10-9-18-19(41(24,7)26(47)15-40(33,39)6)13-21(34(53)38(18,3)4)56-35-31(52)29(50)32(23(17-44)58-35)59-36-30(51)28(49)27(48)22(16-43)57-36/h9,13,19-20,22-24,27-33,35-36,43-45,48-52,54-55H,10-12,14-17H2,1-8H3/t19-,20-,22-,23+,24+,27-,28+,29+,30-,31+,32+,33+,35+,36-,39+,40-,41+,42+/m1/s1 |
| InChIKey | WYARQSIYTLAQAA-JSTYUXAQSA-N |
| Mol Weight | 841.0 g/mol |
| Molecular Formula | C42H64O17 |
| Exact Mass | 840.414351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FOXf0kDgBgy |
|---|---|
| Name | KHEKADAENGOSIDE-B;CUCURBITACIN-L-2-O-ALPHA-GLUCOPYRANOSYL-(1->4)-BETA-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O17 |
| InChI | InChI=1S/C42H64O17/c1-37(2,54)12-11-25(46)42(8,55)33-20(45)14-39(5)24-10-9-18-19(41(24,7)26(47)15-40(33,39)6)13-21(34(53)38(18,3)4)56-35-31(52)29(50)32(23(17-44)58-35)59-36-30(51)28(49)27(48)22(16-43)57-36/h9,13,19-20,22-24,27-33,35-36,43-45,48-52,54-55H,10-12,14-17H2,1-8H3/t19-,20-,22-,23+,24+,27-,28+,29+,30-,31+,32+,33+,35+,36-,39+,40-,41+,42+/m1/s1 |
| InChIKey | WYARQSIYTLAQAA-JSTYUXAQSA-N |
| Literature Reference Author | T.KANCHANAPOOM,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,59,215(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00430-7 |
| Molecular Weight | 840.960 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN2543 |