| SpectraBase Compound ID | 9b21dxuHkuK |
|---|---|
| InChI | InChI=1S/C31H38O17/c32-9-20-22(36)23(37)24(48-29-26(39)31(41,13-44-29)12-43-28-25(38)30(40,10-33)11-42-28)27(47-20)45-15-6-16(34)21-17(35)8-18(46-19(21)7-15)14-4-2-1-3-5-14/h1-7,18,20,22-29,32-34,36-41H,8-13H2/t18?,20-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | OGHKMYABKJLKTL-XPIXGMIBSA-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 | DBlEdJB2Yps |
|---|---|
| Name | PINOCEMBRIN-7-O-APIOSYL-(1->5)-APIOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O17 |
| InChI | InChI=1S/C31H38O17/c32-9-20-22(36)23(37)24(48-29-26(39)31(41,13-44-29)12-43-28-25(38)30(40,10-33)11-42-28)27(47-20)45-15-6-16(34)21-17(35)8-18(46-19(21)7-15)14-4-2-1-3-5-14/h1-7,18,20,22-29,32-34,36-41H,8-13H2/t18?,20-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | OGHKMYABKJLKTL-XPIXGMIBSA-N |
| Literature Reference Author | J.H.LIN,Y.N.CHIOU,Y.L.LIN |
| Literature Reference Citation | J.NAT.PROD.,65,638(2002) |
| Literature Reference DOI | 10.1021/np010548z |
| Molecular Weight | 682.633 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI4124 |