| SpectraBase Compound ID | 8jpm2r27QaZ |
|---|---|
| InChI | InChI=1S/C39H62O14/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/h17-26,28-36,40-41,43-47H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24-,25-,26+,28-,29-,30+,31+,32-,33+,34-,35+,36+,37-,38-,39+/m0/s1 |
| InChIKey | YEKZYRCPUZIPAI-BCXSQMPCSA-N |
| Mol Weight | 754.9 g/mol |
| Molecular Formula | C39H62O14 |
| Exact Mass | 754.413957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EjduErJGiap |
|---|---|
| Name | NEOHECOGENIN_3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H62O14 |
| InChI | InChI=1S/C39H62O14/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/h17-26,28-36,40-41,43-47H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24-,25-,26+,28-,29-,30+,31+,32-,33+,34-,35+,36+,37-,38-,39+/m0/s1 |
| InChIKey | YEKZYRCPUZIPAI-BCXSQMPCSA-N |
| Literature Reference Author | X.C.LI,D.Z.WANG,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,29,3893(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85354-I |
| Molecular Weight | 754.913 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19519 |