| SpectraBase Compound ID | 8ot7MdIGCJ8 |
|---|---|
| InChI | InChI=1S/C42H66O13/c1-19-11-16-41(37(51)55-35-33(48)31(46)29(44)22(4)53-35)17-18-42(36(49)50)23(27(41)20(19)2)9-10-25-39(7)14-13-26(38(5,6)24(39)12-15-40(25,42)8)54-34-32(47)30(45)28(43)21(3)52-34/h9,19-22,24-35,43-48H,10-18H2,1-8H3,(H,49,50)/t19-,20+,21-,22-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey | GCTHJJODZWGWQS-XFMNBJLYSA-N |
| Mol Weight | 779.0 g/mol |
| Molecular Formula | C42H66O13 |
| Exact Mass | 778.450342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BPl4Iqavc6 |
|---|---|
| Name | 3-BETA-O-BETA-D-QUINOVOPYRANOSYL-QUINOVIC-ACID-(28->1)-QUINOVOPYRANOSYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O13 |
| InChI | InChI=1S/C42H66O13/c1-19-11-16-41(37(51)55-35-33(48)31(46)29(44)22(4)53-35)17-18-42(36(49)50)23(27(41)20(19)2)9-10-25-39(7)14-13-26(38(5,6)24(39)12-15-40(25,42)8)54-34-32(47)30(45)28(43)21(3)52-34/h9,19-22,24-35,43-48H,10-18H2,1-8H3,(H,49,50)/t19-,20+,21-,22-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey | GCTHJJODZWGWQS-XFMNBJLYSA-N |
| Literature Reference Author | H.H.HASSANEAN,E.K.DESOKY,M.M.A.EL-HAMOULY |
| Literature Reference Citation | PHYTOCHEM.,33,663(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85469-8 |
| Molecular Weight | 778.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6526 |