SpectraBase Compound ID | Jh2ZmUHJDEi |
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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-VREPDJNTSA-N |
Mol Weight | 696.7 g/mol |
Molecular Formula | C32H40O17 |
Exact Mass | 696.22655 g/mol |
SpectraBase Spectrum ID | JFa2eNDGWqg |
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Name | 6''-O-PARA-CIS-COUMAROYL-GENIPIN-GENTIOBIOSIDEE |
Compound Number | 4 |
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-VREPDJNTSA-N |
Literature Reference Author | K.MACHIDA,R.ONODERA,K.FURUTA,M.KIKUCHI |
Literature Reference Citation | CHEM.PHARM.BULL.,46,1295(1998) |
Literature Reference DOI | 10.1248/cpb.46.1295 |
Molecular Weight | 696.659 g/mol |
Solvent | CDCl3 |
Source File Reference | UWMS20385 |