| SpectraBase Compound ID | 8zc2tZYX5qD |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-20-9-14-47(43(62)68-40-37(59)34(56)31(53)24(18-50)64-40)15-16-48(42(60)61)22(29(47)21(20)2)7-8-27-45(5)12-11-28(44(3,4)26(45)10-13-46(27,48)6)66-41-38(35(57)32(54)25(19-51)65-41)67-39-36(58)33(55)30(52)23(17-49)63-39/h7,20-21,23-41,49-59H,8-19H2,1-6H3,(H,60,61)/t20-,21+,23-,24-,25-,26?,27?,28+,29?,30-,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,45+,46-,47+,48-/m1/s1 |
| InChIKey | WMCSEVMBVSREMX-GRUXCFJTSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDwV7bAl4Yv |
|---|---|
| Name | QUINOVIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(28->1)-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-20-9-14-47(43(62)68-40-37(59)34(56)31(53)24(18-50)64-40)15-16-48(42(60)61)22(29(47)21(20)2)7-8-27-45(5)12-11-28(44(3,4)26(45)10-13-46(27,48)6)66-41-38(35(57)32(54)25(19-51)65-41)67-39-36(58)33(55)30(52)23(17-49)63-39/h7,20-21,23-41,49-59H,8-19H2,1-6H3,(H,60,61)/t20-,21+,23-,24-,25-,26?,27?,28+,29?,30-,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,45+,46-,47+,48-/m1/s1 |
| InChIKey | WMCSEVMBVSREMX-GRUXCFJTSA-N |
| Literature Reference Author | G.J.FAN,Z.S.HE |
| Literature Reference Citation | PHYTOCHEM.,44,1139(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00660-7 |
| Molecular Weight | 973.119 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA425 |