| SpectraBase Compound ID | BoNzrt3ambj |
|---|---|
| InChI | InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20-,22?,23?,24+,25?,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1 |
| InChIKey | PUOQHFWXBKTHST-ZCXMRWBBSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C36H56O9 |
| Exact Mass | 632.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51Nik7XlJZ5 |
|---|---|
| Name | QUINOVIC-ACID_3-BETA-O-BETA-6-DEOXY-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O9 |
| InChI | InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20-,22?,23?,24+,25?,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1 |
| InChIKey | PUOQHFWXBKTHST-ZCXMRWBBSA-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 | 632.835 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25506 |