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 |
SpectraBase Spectrum ID | JJProy59uuW |
---|---|
Name | 6''-O-TRANS-SINAPOYLGENIPIN_GENTIOBIOSIDE |
Compound Number | 1 |
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 | 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 | 756.712 g/mol |
Sample ID | 33359 |
Solvent | CD3OD |