| SpectraBase Compound ID | 8nUoFpdZ3sh |
|---|---|
| InChI | InChI=1S/C34H44O19/c1-45-18-8-14(9-19(46-2)24(18)37)4-7-22(36)48-12-20-25(38)27(40)29(42)33(51-20)50-13-21-26(39)28(41)30(43)34(52-21)53-32-23-15(10-35)5-6-16(23)17(11-49-32)31(44)47-3/h4-5,7-9,11,16,20-21,23,25-30,32-35,37-43H,6,10,12-13H2,1-3H3/b7-4+/t16-,20+,21+,23-,25+,26+,27-,28-,29+,30+,32+,33+,34-/m1/s1 |
| InChIKey | VWHCJIZYMBSOMV-HHJNMKITSA-N |
| Mol Weight | 756.7 g/mol |
| Molecular Formula | C34H44O19 |
| Exact Mass | 756.247679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ahDOYLgvcc |
|---|---|
| Name | 6''-O-(TRANS)-SINAPOYL-GENIPIN-GENTIOBIOSIDE |
| Compound Number | 32 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H44O19 |
| InChI | InChI=1S/C34H44O19/c1-45-18-8-14(9-19(46-2)24(18)37)4-7-22(36)48-12-20-25(38)27(40)29(42)33(51-20)50-13-21-26(39)28(41)30(43)34(52-21)53-32-23-15(10-35)5-6-16(23)17(11-49-32)31(44)47-3/h4-5,7-9,11,16,20-21,23,25-30,32-35,37-43H,6,10,12-13H2,1-3H3/b7-4+/t16-,20+,21+,23-,25+,26+,27-,28-,29+,30+,32+,33+,34-/m1/s1 |
| InChIKey | VWHCJIZYMBSOMV-HHJNMKITSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,R.BANIK |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,803(2011) |
| Literature Reference DOI | 10.1248/cpb.59.803 |
| Molecular Weight | 756.712 g/mol |
| Source File Reference | UWIR3261 |