| SpectraBase Compound ID | 3BeyYEUQ6mJ |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-20-27(44)29(46)31(48)33(53-20)55-26-11-12-39(6)24(38(26,4)5)10-13-40(7)25(39)9-8-21-22-18-37(2,3)14-15-41(22,16-17-42(21,40)35(50)51)36(52)56-34-32(49)30(47)28(45)23(19-43)54-34/h8,20,22-34,43-49H,9-19H2,1-7H3,(H,50,51)/t20-,22?,23-,24?,25?,26+,27-,28-,29+,30+,31-,32-,33+,34+,39+,40-,41+,42-/m1/s1 |
| InChIKey | ZCBRYYRPNSHPER-JHZNJTORSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | q1PRnaHClK |
|---|---|
| Name | QUINOVIC-ACID_3-BETA-O-BETA-6-DEOXY-D-GLUCOPYRANOSIDE-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-20-27(44)29(46)31(48)33(53-20)55-26-11-12-39(6)24(38(26,4)5)10-13-40(7)25(39)9-8-21-22-18-37(2,3)14-15-41(22,16-17-42(21,40)35(50)51)36(52)56-34-32(49)30(47)28(45)23(19-43)54-34/h8,20,22-34,43-49H,9-19H2,1-7H3,(H,50,51)/t20-,22?,23-,24?,25?,26+,27-,28-,29+,30+,31-,32-,33+,34+,39+,40-,41+,42-/m1/s1 |
| InChIKey | ZCBRYYRPNSHPER-JHZNJTORSA-N |
| Literature Reference Author | F.J.ARRIAGA,A.RUMBERO,P.VAZQUEZ |
| Literature Reference Citation | PHYTOCHEM.,29,209(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89038-B |
| Molecular Weight | 794.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25512 |