| SpectraBase Compound ID | 2CPG5BlKbNH |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-19-10-15-41(36(50)51)16-17-42(37(52)56-35-33(49)31(47)29(45)23(18-43)54-35)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)28(44)21(3)53-34/h8,19-21,23-35,43-49H,9-18H2,1-7H3,(H,50,51)/t19-,20+,21-,23?,24?,25?,26+,27?,28-,29?,30+,31?,32-,33?,34+,35?,39+,40-,41+,42-/m1/s1 |
| InChIKey | QRVJUIRVDGCRAH-CNVSMTEQSA-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 | IzPWKcKgVmr |
|---|---|
| Name | QUINOVIC-ACID-3-BETA-O-(BETA-D-QUINOVOPYRANOSYL)-(27-1)-BETA-D-GLUCOPYRANOSYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-19-10-15-41(36(50)51)16-17-42(37(52)56-35-33(49)31(47)29(45)23(18-43)54-35)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)28(44)21(3)53-34/h8,19-21,23-35,43-49H,9-18H2,1-7H3,(H,50,51)/t19-,20+,21-,23?,24?,25?,26+,27?,28-,29?,30+,31?,32-,33?,34+,35?,39+,40-,41+,42-/m1/s1 |
| InChIKey | QRVJUIRVDGCRAH-CNVSMTEQSA-N |
| Literature Reference Author | R.AQUINO,V.DEFEO,F.DESIMONE,C.PIZZA,G.CIRINO |
| Literature Reference Citation | J.NAT.PROD.,54,453(1991) |
| Literature Reference DOI | 10.1021/np50074a016 |
| Molecular Weight | 794.978 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS5348 |