![3-O-[BETA-D-QUINOVOPYRANOSYL]-QUINOVIC-ACID-27-O-[BETA-D-GLUCOPYRANOSYL]-ESTER](/api/spectrum/IGxHiTONrZr/structure.png?h=300&w=458 "3-O-[BETA-D-QUINOVOPYRANOSYL]-QUINOVIC-ACID-27-O-[BETA-D-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | DDu5aYqHUEi |
|---|---|
| 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-KZNIDIGNSA-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 | IGxHiTONrZr |
|---|---|
| Name | 3-O-[BETA-D-QUINOVOPYRANOSYL]-QUINOVIC-ACID-27-O-[BETA-D-GLUCOPYRANOSYL]-ESTER |
| Compound Number | 2 |
| 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-KZNIDIGNSA-N |
| Literature Reference Author | M.H.A.ELGAMAL,K.H.SHAKER,K.POELLMANN,K.SEIFERT |
| Literature Reference Citation | PHYTOCHEM.,40,1233(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00436-B |
| Molecular Weight | 794.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2824 |