| SpectraBase Compound ID | 9gCcP2h2IJV |
|---|---|
| InChI | InChI=1S/C58H94O27/c1-22-31(63)34(66)38(70)49(78-22)83-43-32(64)25(61)19-77-51(43)84-44-37(69)36(68)42(47(74)75)82-52(44)80-30-12-13-55(5)28(56(30,6)21-60)11-14-58(8)29(55)10-9-23-24-17-53(2,3)45(73)46(54(24,4)15-16-57(23,58)7)85-48-40(72)41(26(62)20-76-48)81-50-39(71)35(67)33(65)27(18-59)79-50/h9,22,24-46,48-52,59-73H,10-21H2,1-8H3,(H,74,75)/t22-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39-,40-,41+,42-,43+,44+,45-,46+,48+,49-,50+,51-,52+,54+,55-,56+,57+,58+/m0/s1 |
| InChIKey | KOYGXAWQHQQPNM-FSZKFZTLSA-N |
| Mol Weight | 1223.4 g/mol |
| Molecular Formula | C58H94O27 |
| Exact Mass | 1222.598248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkXeKfggvqx |
|---|---|
| Name | #9;IMPATIENOSIDE-C;22-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSYL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94O27 |
| InChI | InChI=1S/C58H94O27/c1-22-31(63)34(66)38(70)49(78-22)83-43-32(64)25(61)19-77-51(43)84-44-37(69)36(68)42(47(74)75)82-52(44)80-30-12-13-55(5)28(56(30,6)21-60)11-14-58(8)29(55)10-9-23-24-17-53(2,3)45(73)46(54(24,4)15-16-57(23,58)7)85-48-40(72)41(26(62)20-76-48)81-50-39(71)35(67)33(65)27(18-59)79-50/h9,22,24-46,48-52,59-73H,10-21H2,1-8H3,(H,74,75)/t22-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39-,40-,41+,42-,43+,44+,45-,46+,48+,49-,50+,51-,52+,54+,55-,56+,57+,58+/m0/s1 |
| InChIKey | KOYGXAWQHQQPNM-FSZKFZTLSA-N |
| Literature Reference Author | W.LI,X.BI,K.WANG,D.LI,T.SATOU,K.KOIKE |
| Literature Reference Citation | PHYTOCHEM.,70,816(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.03.022 |
| Molecular Weight | 1223.368 g/mol |
| Sample ID | 64705 |
| Solvent | C5D5N |