| SpectraBase Compound ID | BG0BNjlxGbt |
|---|---|
| InChI | InChI=1S/C31H38O17/c1-2-14-15-7-8-42-28(41)16(15)12-43-29(14)48-31-26(40)27(23(37)20(11-33)46-31)47-21(35)6-4-13-3-5-18(17(34)9-13)44-30-25(39)24(38)22(36)19(10-32)45-30/h2-6,9,12,14-15,19-20,22-27,29-34,36-40H,1,7-8,10-11H2/b6-4+/t14-,15+,19-,20+,22-,23+,24+,25-,26+,27-,29+,30-,31-/m1/s1 |
| InChIKey | UCRYHNSXVSAUKG-ORTOULLRSA-N |
| Mol Weight | 682.6 g/mol |
| Molecular Formula | C31H38O17 |
| Exact Mass | 682.2109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B9dntdYfRmz |
|---|---|
| Name | PICROSECOSIDE-II |
| Compound Number | 64 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O17 |
| InChI | InChI=1S/C31H38O17/c1-2-14-15-7-8-42-28(41)16(15)12-43-29(14)48-31-26(40)27(23(37)20(11-33)46-31)47-21(35)6-4-13-3-5-18(17(34)9-13)44-30-25(39)24(38)22(36)19(10-32)45-30/h2-6,9,12,14-15,19-20,22-27,29-34,36-40H,1,7-8,10-11H2/b6-4+/t14-,15+,19-,20+,22-,23+,24+,25-,26+,27-,29+,30-,31-/m1/s1 |
| InChIKey | UCRYHNSXVSAUKG-ORTOULLRSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,R.BANIK |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,803(2011) |
| Literature Reference DOI | 10.1248/cpb.59.803 |
| Molecular Weight | 682.633 g/mol |
| Source File Reference | UWIR3293 |