| SpectraBase Compound ID | 2LBRfgZckBd |
|---|---|
| InChI | InChI=1S/C36H56O12/c1-32(2)19-7-8-24-33(3)12-22-29(35(5,45)11-18(46-22)9-17(14-37)15-38)34(33,4)13-25(41)36(24,6)20(19)10-21(40)30(32)48-31-28(44)27(43)26(42)23(16-39)47-31/h7,9,18,20-24,26-31,37-40,42-45H,8,10-16H2,1-6H3/t18-,20-,21+,22-,23-,24+,26-,27+,28-,29?,30-,31+,33+,34-,35+,36-/m1/s1 |
| InChIKey | KUBXZBQCNQHNFO-VVZAOTNLSA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C36H56O12 |
| Exact Mass | 680.377177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dnx4o4Ef0G6 |
|---|---|
| Name | SCANDENOSIDE-R10 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O12 |
| InChI | InChI=1S/C36H56O12/c1-32(2)19-7-8-24-33(3)12-22-29(35(5,45)11-18(46-22)9-17(14-37)15-38)34(33,4)13-25(41)36(24,6)20(19)10-21(40)30(32)48-31-28(44)27(43)26(42)23(16-39)47-31/h7,9,18,20-24,26-31,37-40,42-45H,8,10-16H2,1-6H3/t18-,20-,21+,22-,23-,24+,26-,27+,28-,29?,30-,31+,33+,34-,35+,36-/m1/s1 |
| InChIKey | KUBXZBQCNQHNFO-VVZAOTNLSA-N |
| Literature Reference Author | H.KUBO,K.OHTANI,R.KASAI,K.YAMASAKI,R.L.NIE,O.TANAKA |
| Literature Reference Citation | PHYTOCHEM.,41,1169(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00722-9 |
| Molecular Weight | 680.833 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4296 |