| SpectraBase Compound ID | LDTbsdyLAt4 |
|---|---|
| InChI | InChI=1S/C58H94O28/c1-53(2)16-23-22-8-9-29-55(4)12-11-30(81-52-44(37(70)36(69)42(83-52)47(75)76)85-51-43(35(68)33(66)27(18-60)80-51)84-48-38(71)31(64)24(62)19-77-48)56(5,21-61)28(55)10-13-58(29,7)57(22,6)15-14-54(23,3)46(45(53)74)86-49-40(73)41(25(63)20-78-49)82-50-39(72)34(67)32(65)26(17-59)79-50/h8,23-46,48-52,59-74H,9-21H2,1-7H3,(H,75,76)/t23-,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 | KCMJRVQUCCWUGK-NTIPRHKNSA-N |
| Mol Weight | 1239.4 g/mol |
| Molecular Formula | C58H94O28 |
| Exact Mass | 1238.593162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EETJ4STTjol |
|---|---|
| Name | #13;IMPATIENOSIDE-F;22-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSYL-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94O28 |
| InChI | InChI=1S/C58H94O28/c1-53(2)16-23-22-8-9-29-55(4)12-11-30(81-52-44(37(70)36(69)42(83-52)47(75)76)85-51-43(35(68)33(66)27(18-60)80-51)84-48-38(71)31(64)24(62)19-77-48)56(5,21-61)28(55)10-13-58(29,7)57(22,6)15-14-54(23,3)46(45(53)74)86-49-40(73)41(25(63)20-78-49)82-50-39(72)34(67)32(65)26(17-59)79-50/h8,23-46,48-52,59-74H,9-21H2,1-7H3,(H,75,76)/t23-,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 | KCMJRVQUCCWUGK-NTIPRHKNSA-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 | 1239.368 g/mol |
| Sample ID | 64708 |
| Solvent | C5D5N |