| SpectraBase Compound ID | EBiqhrxrqyw |
|---|---|
| InChI | InChI=1S/C34H42O19/c1-13-26(41)28(43)30(45)32(49-13)53-31-29(44)27(42)22(12-48-24(40)11-34(2,46)10-23(38)39)52-33(31)50-15-7-17(36)25-18(37)9-20(51-21(25)8-15)14-4-5-19(47-3)16(35)6-14/h4-8,13,20,22,26-33,35-36,41-46H,9-12H2,1-3H3,(H,38,39)/t13-,20?,22+,26-,27+,28+,29-,30+,31+,32-,33+,34?/m1/s1 |
| InChIKey | SHCWOSSXLGIQEQ-VKAORHLDSA-N |
| Mol Weight | 754.7 g/mol |
| Molecular Formula | C34H42O19 |
| Exact Mass | 754.232029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3q7mz6HEhvw |
|---|---|
| Name | BRUTIERIDIN;HESPERETIN_7-(2''-ALPHA-RHAMNOSYL-6''-(3''''-HYDROXY-3''''-METHYLGLUTARYL)-BETA-GLUCOSIDE) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H42O19 |
| InChI | InChI=1S/C34H42O19/c1-13-26(41)28(43)30(45)32(49-13)53-31-29(44)27(42)22(12-48-24(40)11-34(2,46)10-23(38)39)52-33(31)50-15-7-17(36)25-18(37)9-20(51-21(25)8-15)14-4-5-19(47-3)16(35)6-14/h4-8,13,20,22,26-33,35-36,41-46H,9-12H2,1-3H3,(H,38,39)/t13-,20?,22+,26-,27+,28+,29-,30+,31+,32-,33+,34?/m1/s1 |
| InChIKey | SHCWOSSXLGIQEQ-VKAORHLDSA-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 | 754.696 g/mol |
| Sample ID | 33256 |
| Solvent | CD3OD |