| SpectraBase Compound ID | 7Q7tfOsk8nq |
|---|---|
| InChI | InChI=1S/C48H80O19/c1-21(19-61-41-39(59)37(57)34(54)26(65-41)20-62-42-38(58)35(55)32(52)24(17-49)63-42)9-8-10-22(2)23-13-14-45(5)28-15-31-48(67-31)27(47(28,7)29(51)16-46(23,45)6)11-12-30(44(48,3)4)66-43-40(60)36(56)33(53)25(18-50)64-43/h9,22-43,49-60H,8,10-20H2,1-7H3/b21-9+/t22-,23?,24-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,45+,46-,47-,48+/m1/s1 |
| InChIKey | XWICPXZADRKUAR-GSPRLKPNSA-N |
| Mol Weight | 961.1 g/mol |
| Molecular Formula | C48H80O19 |
| Exact Mass | 960.52938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7p6y1FH8iq9 |
|---|---|
| Name | SCANDENOSIDE-R11 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O19 |
| InChI | InChI=1S/C48H80O19/c1-21(19-61-41-39(59)37(57)34(54)26(65-41)20-62-42-38(58)35(55)32(52)24(17-49)63-42)9-8-10-22(2)23-13-14-45(5)28-15-31-48(67-31)27(47(28,7)29(51)16-46(23,45)6)11-12-30(44(48,3)4)66-43-40(60)36(56)33(53)25(18-50)64-43/h9,22-43,49-60H,8,10-20H2,1-7H3/b21-9+/t22-,23?,24-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,45+,46-,47-,48+/m1/s1 |
| InChIKey | XWICPXZADRKUAR-GSPRLKPNSA-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 | 961.152 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4300 |