| SpectraBase Compound ID | JwEs8l4CZb6 |
|---|---|
| InChI | InChI=1S/C36H44O20/c1-13-25(41)32(51-14(2)38)31(47)35(50-13)56-33-29(45)27(43)23(12-49-34-30(46)28(44)26(42)22(11-37)54-34)55-36(33)52-17-8-18(39)24-19(40)10-20(53-21(24)9-17)15-4-6-16(48-3)7-5-15/h4-10,13,22-23,25-37,39,41-47H,11-12H2,1-3H3/t13-,22+,23+,25-,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+/m1/s1 |
| InChIKey | CQOUYNHJMDGOBI-ZDBFMJEOSA-N |
| Mol Weight | 796.7 g/mol |
| Molecular Formula | C36H44O20 |
| Exact Mass | 796.242594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | V7BXHRF1iR |
|---|---|
| Name | ACACETIN-7-O-[6''-O-GLUCOSYL-2''-O-(3'''-ACETYLRHAMNOSYL)-GLUCOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H44O20 |
| InChI | InChI=1S/C36H44O20/c1-13-25(41)32(51-14(2)38)31(47)35(50-13)56-33-29(45)27(43)23(12-49-34-30(46)28(44)26(42)22(11-37)54-34)55-36(33)52-17-8-18(39)24-19(40)10-20(53-21(24)9-17)15-4-6-16(48-3)7-5-15/h4-10,13,22-23,25-37,39,41-47H,11-12H2,1-3H3/t13-,22+,23+,25-,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+/m1/s1 |
| InChIKey | CQOUYNHJMDGOBI-ZDBFMJEOSA-N |
| Literature Reference Author | M.SHARAF,M.A.EL-ANSARI,S.A.MATLIN,N.A.M.SALEH |
| Literature Reference Citation | PHYTOCHEM.,44,533(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00531-6 |
| Molecular Weight | 796.733 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWPA165 |