| SpectraBase Compound ID | DJgiuCvFLVc |
|---|---|
| InChI | InChI=1S/C33H40O18/c1-13-25(40)27(42)29(44)31(47-13)51-30-28(43)26(41)21(12-46-23(39)11-33(2,45)10-22(37)38)50-32(30)48-16-7-17(35)24-18(36)9-19(49-20(24)8-16)14-3-5-15(34)6-4-14/h3-8,13,19,21,25-32,34-35,40-45H,9-12H2,1-2H3,(H,37,38)/t13-,19?,21+,25-,26+,27+,28-,29+,30+,31-,32+,33?/m1/s1 |
| InChIKey | NEFQWEGQYZRALY-CVUHWTEMSA-N |
| Mol Weight | 724.7 g/mol |
| Molecular Formula | C33H40O18 |
| Exact Mass | 724.221464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BcjocsDFAkQ |
|---|---|
| Name | MELITIDIN;NARINGENIN_7-(2''-ALPHA-RHAMNOSYL-6''-(3''''-HYDROXY-3''''-METHYLGLUTARYL)-BETA-GLUCOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O18 |
| InChI | InChI=1S/C33H40O18/c1-13-25(40)27(42)29(44)31(47-13)51-30-28(43)26(41)21(12-46-23(39)11-33(2,45)10-22(37)38)50-32(30)48-16-7-17(35)24-18(36)9-19(49-20(24)8-16)14-3-5-15(34)6-4-14/h3-8,13,19,21,25-32,34-35,40-45H,9-12H2,1-2H3,(H,37,38)/t13-,19?,21+,25-,26+,27+,28-,29+,30+,31-,32+,33?/m1/s1 |
| InChIKey | NEFQWEGQYZRALY-CVUHWTEMSA-N |
| Literature Reference Author | L.DIDONNA,G.DELUCA,F.MAZZOTTI,A.NAPOLI,R.SALERNO,D.TAVERNA,G .SINDONA |
| Literature Reference Citation | J.NAT.PROD.,72,1352(2009) |
| Literature Reference DOI | 10.1021/np900096w |
| Molecular Weight | 724.670 g/mol |
| Sample ID | 33257 |
| Solvent | CD3OD |