| SpectraBase Compound ID | 9sVmlDZvJar |
|---|---|
| InChI | InChI=1S/C26H30O13/c1-12-20-15(9-19(29)37-12)16(24(33)34-2)10-36-25(20)39-26-23(32)22(31)21(30)17(38-26)11-35-18(28)8-5-13-3-6-14(27)7-4-13/h3-8,10,12,15,17,20-23,25-27,30-32H,9,11H2,1-2H3/b8-5+/t12-,15?,17-,20?,21-,22+,23-,25+,26+/m1/s1 |
| InChIKey | ICIBBGBIPKDVNG-QEBHISELSA-N |
| Mol Weight | 550.51 g/mol |
| Molecular Formula | C26H30O13 |
| Exact Mass | 550.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 729pmViWKq5 |
|---|---|
| Name | 6'-O-TRANS-P-COUMAROYL-8-EPIKINGISIDE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H30O13 |
| InChI | InChI=1S/C26H30O13/c1-12-20-15(9-19(29)37-12)16(24(33)34-2)10-36-25(20)39-26-23(32)22(31)21(30)17(38-26)11-35-18(28)8-5-13-3-6-14(27)7-4-13/h3-8,10,12,15,17,20-23,25-27,30-32H,9,11H2,1-2H3/b8-5+/t12-,15?,17-,20?,21-,22+,23-,25+,26+/m1/s1 |
| InChIKey | ICIBBGBIPKDVNG-QEBHISELSA-N |
| Literature Reference Author | H.LOPEZ,J.A.PEREZ,J.M.HERNANDEZ,J.TRUJILLO |
| Literature Reference Citation | J.NAT.PROD.,60,1334(1997) |
| Literature Reference DOI | 10.1021/np970272o |
| Molecular Weight | 550.516 g/mol |
| Solvent | CD3OD |
| Source File Reference | WANG2442 |