| SpectraBase Compound ID | 9LweWBQ6bHD |
|---|---|
| InChI | InChI=1S/C31H36O17/c1-2-14-15-7-8-42-28(41)16(15)12-43-29(14)48-31-27(25(39)23(37)20(11-33)46-31)47-21(35)6-4-13-3-5-18(17(34)9-13)44-30-26(40)24(38)22(36)19(10-32)45-30/h2-7,9,12,14,19-20,22-27,29-34,36-40H,1,8,10-11H2/b6-4+/t14-,19-,20+,22-,23+,24+,25-,26-,27+,29+,30-,31-/m1/s1 |
| InChIKey | GDQKDEDDYXJRIN-BABYGKAWSA-N |
| Mol Weight | 680.6 g/mol |
| Molecular Formula | C31H36O17 |
| Exact Mass | 680.19525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAoM5ek8K0T |
|---|---|
| Name | PICROGENTIOSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36O17 |
| InChI | InChI=1S/C31H36O17/c1-2-14-15-7-8-42-28(41)16(15)12-43-29(14)48-31-27(25(39)23(37)20(11-33)46-31)47-21(35)6-4-13-3-5-18(17(34)9-13)44-30-26(40)24(38)22(36)19(10-32)45-30/h2-7,9,12,14,19-20,22-27,29-34,36-40H,1,8,10-11H2/b6-4+/t14-,19-,20+,22-,23+,24+,25-,26-,27+,29+,30-,31-/m1/s1 |
| InChIKey | GDQKDEDDYXJRIN-BABYGKAWSA-N |
| Literature Reference Author | L.C.ZOU,T.F.ZHU,H.XIANG,L.YU,Z.H.YAN,S.C.GAN,D.C.WANG,S.ZENG ,X.M.DENG |
| Literature Reference Citation | MOLECULES,13,2049(2008) |
| Literature Reference DOI | 10.3390/molecules13092049 |
| Molecular Weight | 680.617 g/mol |
| Sample ID | 56867 |
| Solvent | DMSO-D6 |