| SpectraBase Compound ID | 7Vk2Gfhubv1 |
|---|---|
| InChI | InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-23,25-28,30,37-39,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18-,19-,21+,22+,23-,25+,26-,27+,28+,30+,33+,34-,35+,36+/m1/s1 |
| InChIKey | MNDSHGJSXPOSMP-BXCKSURNSA-N |
| Mol Weight | 678.8 g/mol |
| Molecular Formula | C36H54O12 |
| Exact Mass | 678.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QZ801OfdeQ |
|---|---|
| Name | KHEKADAENGOSIDE-E |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O12 |
| InChI | InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-23,25-28,30,37-39,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18-,19-,21+,22+,23-,25+,26-,27+,28+,30+,33+,34-,35+,36+/m1/s1 |
| InChIKey | MNDSHGJSXPOSMP-BXCKSURNSA-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 | 678.818 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN2546 |