| SpectraBase Compound ID | IRDrow0RapG |
|---|---|
| InChI | InChI=1S/C33H42O18/c1-44-19-9-14(3-7-18(19)35)4-8-22(36)46-12-20-24(37)26(39)28(41)32(49-20)48-13-21-25(38)27(40)29(42)33(50-21)51-31-23-15(10-34)5-6-16(23)17(11-47-31)30(43)45-2/h3-5,7-9,11,16,20-21,23-29,31-35,37-42H,6,10,12-13H2,1-2H3/b8-4+/t16-,20+,21+,23-,24+,25+,26-,27-,28+,29+,31+,32+,33-/m1/s1 |
| InChIKey | QLEXBIPJBYQTIL-HCEQVVOVSA-N |
| Mol Weight | 726.7 g/mol |
| Molecular Formula | C33H42O18 |
| Exact Mass | 726.237114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1adb3utXa5G |
|---|---|
| Name | 6''-O-(TRANS)-FERULOYL-GENIPIN-GENTIOBIOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O18 |
| InChI | InChI=1S/C33H42O18/c1-44-19-9-14(3-7-18(19)35)4-8-22(36)46-12-20-24(37)26(39)28(41)32(49-20)48-13-21-25(38)27(40)29(42)33(50-21)51-31-23-15(10-34)5-6-16(23)17(11-47-31)30(43)45-2/h3-5,7-9,11,16,20-21,23-29,31-35,37-42H,6,10,12-13H2,1-2H3/b8-4+/t16-,20+,21+,23-,24+,25+,26-,27-,28+,29+,31+,32+,33-/m1/s1 |
| InChIKey | QLEXBIPJBYQTIL-HCEQVVOVSA-N |
| Literature Reference Author | F.M.QIN,L.J.MENG,H.L.ZOU,G.X.ZHOU |
| Literature Reference Citation | CHEM.PHARM.BULL.,61,1071(2013) |
| Literature Reference DOI | 10.1248/cpb.c13-00262 |
| Molecular Weight | 726.686 g/mol |
| Source File Reference | UWIR4176 |