| SpectraBase Compound ID | J3ELRIyDcF7 |
|---|---|
| InChI | InChI=1S/C34H36O15/c1-16-24(47-27(39)11-5-17-2-7-19(35)8-3-17)13-20-21(32(43)44)14-46-33(28(16)20)49-34-31(42)30(41)29(40)25(48-34)15-45-26(38)10-6-18-4-9-22(36)23(37)12-18/h2-12,14,16,20,24-25,28-31,33-37,40-42H,13,15H2,1H3,(H,43,44)/b10-6+,11-5+/t16-,20-,24+,25+,28-,29+,30-,31+,33+,34-/m1/s1 |
| InChIKey | WUVKQNIZPPBNHK-UGKQNSARSA-N |
| Mol Weight | 684.6 g/mol |
| Molecular Formula | C34H36O15 |
| Exact Mass | 684.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BN8n5DFCuQB |
|---|---|
| Name | AGNUCASTOSIDE-C;7-O-TRANS-PARA-COUMAROYL-6'-O-TRANS-CAFFEOYL-8-EPI-LOGANIC-ACID |
| Compound Number | 141 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H36O15 |
| InChI | InChI=1S/C34H36O15/c1-16-24(47-27(39)11-5-17-2-7-19(35)8-3-17)13-20-21(32(43)44)14-46-33(28(16)20)49-34-31(42)30(41)29(40)25(48-34)15-45-26(38)10-6-18-4-9-22(36)23(37)12-18/h2-12,14,16,20,24-25,28-31,33-37,40-42H,13,15H2,1H3,(H,43,44)/b10-6+,11-5+/t16-,20-,24+,25+,28-,29+,30-,31+,33+,34-/m1/s1 |
| InChIKey | WUVKQNIZPPBNHK-UGKQNSARSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 684.651 g/mol |
| Sample ID | 37937 |
| Solvent | CD3OD |