| SpectraBase Compound ID | aK319xpscW |
|---|---|
| InChI | InChI=1S/C32H40O17/c1-43-29(42)18-11-45-30(22-15(10-33)5-8-17(18)22)49-32-28(41)26(39)24(37)20(48-32)13-46-31-27(40)25(38)23(36)19(47-31)12-44-21(35)9-4-14-2-6-16(34)7-3-14/h2-7,9,11,17,19-20,22-28,30-34,36-41H,8,10,12-13H2,1H3/b9-4+/t17-,19+,20+,22-,23+,24+,25-,26-,27+,28+,30+,31+,32-/m1/s1 |
| InChIKey | QIWWLKDHHMGRQL-ZSAPRKFUSA-N |
| Mol Weight | 696.7 g/mol |
| Molecular Formula | C32H40O17 |
| Exact Mass | 696.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdNI3MZEjni |
|---|---|
| Name | 6''-O-TRANS-PARA-COUMAROYLGENIPIN_GENTIOBIOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O17 |
| InChI | InChI=1S/C32H40O17/c1-43-29(42)18-11-45-30(22-15(10-33)5-8-17(18)22)49-32-28(41)26(39)24(37)20(48-32)13-46-31-27(40)25(38)23(36)19(47-31)12-44-21(35)9-4-14-2-6-16(34)7-3-14/h2-7,9,11,17,19-20,22-28,30-34,36-41H,8,10,12-13H2,1H3/b9-4+/t17-,19+,20+,22-,23+,24+,25-,26-,27+,28+,30+,31+,32-/m1/s1 |
| InChIKey | QIWWLKDHHMGRQL-ZSAPRKFUSA-N |
| Literature Reference Author | Y.YU,Z.L.XIE,H.GAO,W.W.MA,Y.DAI,Y.WANG,Y.ZHONG,X.S.YAO |
| Literature Reference Citation | J.NAT.PROD.,72,1459(2009) |
| Literature Reference DOI | 10.1021/np900176q |
| Molecular Weight | 696.659 g/mol |
| Sample ID | 33360 |
| Solvent | CD3OD |