| SpectraBase Compound ID | 5de7YispFSo |
|---|---|
| InChI | InChI=1S/C39H60O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h5,17-18,20-26,28-36,40-41,43-47H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25+,26-,28+,29+,30-,31-,32+,33-,34+,35-,36-,37+,38-,39-/m1/s1 |
| InChIKey | QMLSDFSTEVPHTD-LCRXDBJKSA-N |
| Mol Weight | 752.9 g/mol |
| Molecular Formula | C39H60O14 |
| Exact Mass | 752.398307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89kmJOTH0it |
|---|---|
| Name | KINGIANOSIDE-A;GENTROGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H60O14 |
| InChI | InChI=1S/C39H60O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h5,17-18,20-26,28-36,40-41,43-47H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25+,26-,28+,29+,30-,31-,32+,33-,34+,35-,36-,37+,38-,39-/m1/s1 |
| InChIKey | QMLSDFSTEVPHTD-LCRXDBJKSA-N |
| Literature Reference Author | X.C.LI,C.R.YANG,M.ICHIKAWA,H.MATSUURA,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,31,3559(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83727-G |
| Molecular Weight | 752.897 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS27138 |