| SpectraBase Compound ID | 2YOmwZHnodg |
|---|---|
| InChI | InChI=1S/C25H30O13/c1-25(34)16(27)8-13-14(22(32)33)9-36-23(18(13)25)38-24-21(31)20(30)19(29)15(37-24)10-35-17(28)7-4-11-2-5-12(26)6-3-11/h2-7,9,13,15-16,18-21,23-24,26-27,29-31,34H,8,10H2,1H3,(H,32,33)/b7-4+/t13-,15+,16+,18-,19+,20-,21+,23+,24-,25+/m1/s1 |
| InChIKey | QCPZTWAULZJVIK-RPZBQYCGSA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C25H30O13 |
| Exact Mass | 538.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Q0qd5MZJxj |
|---|---|
| Name | LIPPIOSIDE-I;6'-O-PARA-TRANS-COUMAROYL-CARYOPTOSIDIC-ACID |
| Compound Number | 178 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O13 |
| InChI | InChI=1S/C25H30O13/c1-25(34)16(27)8-13-14(22(32)33)9-36-23(18(13)25)38-24-21(31)20(30)19(29)15(37-24)10-35-17(28)7-4-11-2-5-12(26)6-3-11/h2-7,9,13,15-16,18-21,23-24,26-27,29-31,34H,8,10H2,1H3,(H,32,33)/b7-4+/t13-,15+,16+,18-,19+,20-,21+,23+,24-,25+/m1/s1 |
| InChIKey | QCPZTWAULZJVIK-RPZBQYCGSA-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 | 538.505 g/mol |
| Sample ID | 37974 |
| Solvent | CD3OD |