| SpectraBase Compound ID | K8ft5vy9X9B |
|---|---|
| InChI | InChI=1S/C27H32O16/c1-11(28)14-4-3-13(38-2)7-17(14)42-25-22(34)21(33)20(32)18(43-25)8-39-26-23(35)27(37,10-41-26)9-40-24(36)12-5-15(29)19(31)16(30)6-12/h3-7,18,20-23,25-26,29-35,37H,8-10H2,1-2H3/t18-,20-,21+,22-,23+,25-,26-,27-/m0/s1 |
| InChIKey | QNVPMKAFCVXMFH-FRTSVZIVSA-N |
| Mol Weight | 612.5 g/mol |
| Molecular Formula | C27H32O16 |
| Exact Mass | 612.169035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvOh4UXDzNz |
|---|---|
| Name | SUFFRUTICOSIDE-A;PAEONOL-2-O-5''-O-GALLOYL-BETA-D-APIOFURANOSYL-(1''->6')-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O16 |
| InChI | InChI=1S/C27H32O16/c1-11(28)14-4-3-13(38-2)7-17(14)42-25-22(34)21(33)20(32)18(43-25)8-39-26-23(35)27(37,10-41-26)9-40-24(36)12-5-15(29)19(31)16(30)6-12/h3-7,18,20-23,25-26,29-35,37H,8-10H2,1-2H3/t18-,20-,21+,22-,23+,25-,26-,27-/m0/s1 |
| InChIKey | QNVPMKAFCVXMFH-FRTSVZIVSA-N |
| Literature Reference Author | H.MATSUDA,T.OHITA,A.KAWAGUCHI,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,69(2001) |
| Literature Reference DOI | 10.1248/cpb.49.69 |
| Molecular Weight | 612.541 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU31766 |