| SpectraBase Compound ID | L4R3lAeuLOT |
|---|---|
| InChI | InChI=1S/C32H40O16/c1-42-29(41)18-12-44-30(22-16(11-33)8-9-17(18)22)48-32-28(40)26(38)24(36)20(47-32)14-45-31-27(39)25(37)23(35)19(46-31)13-43-21(34)10-7-15-5-3-2-4-6-15/h2-8,10,12,17,19-20,22-28,30-33,35-40H,9,11,13-14H2,1H3/b10-7+/t17-,19+,20+,22-,23+,24+,25-,26-,27+,28+,30+,31+,32-/m1/s1 |
| InChIKey | QQBJASYPWTYCQE-NHZCMLJGSA-N |
| Mol Weight | 680.7 g/mol |
| Molecular Formula | C32H40O16 |
| Exact Mass | 680.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcY1NHCY999 |
|---|---|
| Name | 6''-O-TRANS-CINNAMOYLGENIPIN_GENTIOBIOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O16 |
| InChI | InChI=1S/C32H40O16/c1-42-29(41)18-12-44-30(22-16(11-33)8-9-17(18)22)48-32-28(40)26(38)24(36)20(47-32)14-45-31-27(39)25(37)23(35)19(46-31)13-43-21(34)10-7-15-5-3-2-4-6-15/h2-8,10,12,17,19-20,22-28,30-33,35-40H,9,11,13-14H2,1H3/b10-7+/t17-,19+,20+,22-,23+,24+,25-,26-,27+,28+,30+,31+,32-/m1/s1 |
| InChIKey | QQBJASYPWTYCQE-NHZCMLJGSA-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 | 680.660 g/mol |
| Sample ID | 33361 |
| Solvent | CD3OD |