| SpectraBase Compound ID | Gdw8yorTWOT |
|---|---|
| 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-PRTBRJLNSA-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 | 4ull4UprV4x |
|---|---|
| Name | LIPPIOSIDE-I;6'-O-PARA-TRANS-COUMAROYL-CARYOPTOSIDIC-ACID |
| Compound Number | 2 |
| 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-PRTBRJLNSA-N |
| Literature Reference Author | L.RASTRELLI,A.CACERES,C.MORALES,F.D.SIMONE,R.AQUINO |
| Literature Reference Citation | PHYTOCHEM.,49,1829(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00196-4 |
| Molecular Weight | 538.505 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU732 |