![#1;POLYGALAJAPONICOSE-I;1-O-(E)-PARA-COUMAROYL-(3-O-BENZOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-[6-O-(E)-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-ACETYL-BETA-D-G](/api/spectrum/FDwotsg8YKK/structure.png?h=300&w=458 "#1;POLYGALAJAPONICOSE-I;1-O-(E)-PARA-COUMAROYL-(3-O-BENZOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-[6-O-(E)-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-ACETYL-BETA-D-G")
| SpectraBase Compound ID | LftQaMKpNBK |
|---|---|
| InChI | InChI=1S/C75H90O40/c1-33-52(86)56(90)59(93)70(102-33)104-41-20-12-37(13-21-41)16-25-51(85)109-64-46(29-78)106-74(115-75(32-101-50(84)23-15-36-10-18-40(81)19-11-36)68(55(89)44(27-76)114-75)113-69(97)39-8-6-5-7-9-39)67(112-72-61(95)58(92)54(88)48(108-72)31-100-49(83)24-17-38-14-22-42(82)43(26-38)98-4)66(64)111-73-62(96)65(63(103-35(3)80)45(28-77)105-73)110-71-60(94)57(91)53(87)47(107-71)30-99-34(2)79/h5-26,33,44-48,52-68,70-74,76-78,81-82,86-96H,27-32H2,1-4H3/b23-15+,24-17+,25-16+/t33-,44+,45+,46+,47+,48-,52-,53+,54-,55+,56+,57-,58+,59+,60+,61-,62+,63+,64+,65+,66-,67+,68-,70-,71-,72+,73-,74-,75-/m0/s1 |
| InChIKey | UAUFKXIOYWZMLH-MVJQQNHFSA-N |
| Mol Weight | 1631.5 g/mol |
| Molecular Formula | C75H90O40 |
| Exact Mass | 1630.500838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDwotsg8YKK |
|---|---|
| Name | #1;POLYGALAJAPONICOSE-I;1-O-(E)-PARA-COUMAROYL-(3-O-BENZOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-[6-O-(E)-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-ACETYL-BETA-D-G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H90O40 |
| InChI | InChI=1S/C75H90O40/c1-33-52(86)56(90)59(93)70(102-33)104-41-20-12-37(13-21-41)16-25-51(85)109-64-46(29-78)106-74(115-75(32-101-50(84)23-15-36-10-18-40(81)19-11-36)68(55(89)44(27-76)114-75)113-69(97)39-8-6-5-7-9-39)67(112-72-61(95)58(92)54(88)48(108-72)31-100-49(83)24-17-38-14-22-42(82)43(26-38)98-4)66(64)111-73-62(96)65(63(103-35(3)80)45(28-77)105-73)110-71-60(94)57(91)53(87)47(107-71)30-99-34(2)79/h5-26,33,44-48,52-68,70-74,76-78,81-82,86-96H,27-32H2,1-4H3/b23-15+,24-17+,25-16+/t33-,44+,45+,46+,47+,48-,52-,53+,54-,55+,56+,57-,58+,59+,60+,61-,62+,63+,64+,65+,66-,67+,68-,70-,71-,72+,73-,74-,75-/m0/s1 |
| InChIKey | UAUFKXIOYWZMLH-MVJQQNHFSA-N |
| Literature Reference Author | J.FU,L.ZUO,J.YANG,R.CHEN,D.ZHANG |
| Literature Reference Citation | PHYTOCHEM.,69,1617(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.01.010 |
| Molecular Weight | 1631.516 g/mol |
| Sample ID | 44112 |
| Solvent | C5D5N |