| 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 | GWzZ8a9fiMo |
|---|---|
| Name | 6''-O-PARA-COUMAROYL-GENIPINGENTIOBIOSIDE |
| Compound Number | 26 1 |
| 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 | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 696.659 g/mol |
| Solvent | D2O:ACETONE-D6 |
| Source File Reference | UWMZ16229 |