| SpectraBase Compound ID | 6y3iv0qhIm |
|---|---|
| InChI | InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10+,17+,19-,20+,21+,23+,24-,25-,26+,27-,30+,31+,32+,33-/m0/s1 |
| InChIKey | HKNBJSRIYRDSLB-WJYVCVSRSA-N |
| Mol Weight | 756.7 g/mol |
| Molecular Formula | C33H40O20 |
| Exact Mass | 756.211294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9hJwh0JkIu |
|---|---|
| Name | MANGHASLIN;QUERCETIN-3-O-(2'',6''-DI-O-RHAMNOPYRANOSYL)-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O20 |
| InChI | InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10+,17+,19-,20+,21+,23+,24-,25-,26+,27-,30+,31+,32+,33-/m0/s1 |
| InChIKey | HKNBJSRIYRDSLB-WJYVCVSRSA-N |
| Literature Reference Author | A.AFZAN,N.R.ABULLAH,S.Z.HALIM,B.A.RASHID,R.H.R.SEMAIL,N.ABDU LLAH,I.JANTAN,H.MUHA |
| Literature Reference Citation | MOLECULES,17,4326(2012) |
| Literature Reference DOI | 10.3390/molecules17044326 |
| Molecular Weight | 756.669 g/mol |
| Sample ID | 1731 |
| Solvent | CD3OD |