| SpectraBase Compound ID | Fff0tUaW6AU |
|---|---|
| InChI | InChI=1S/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+/t11?,15-,16+,18?,19-,20+,21-,23?,24+,25+/m1/s1 |
| InChIKey | YHZBVXGYEGLXCQ-NTPPIVIDSA-N |
| Mol Weight | 554.5 g/mol |
| Molecular Formula | C25H30O14 |
| Exact Mass | 554.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31DRl6vF6WU |
|---|---|
| Name | LIPPIOSIDE-II;6'-O-TRANS-CAFFEOYL-CARYOPTOSIDIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O14 |
| InChI | InChI=1S/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+/t11?,15-,16+,18?,19-,20+,21-,23?,24+,25+/m1/s1 |
| InChIKey | YHZBVXGYEGLXCQ-NTPPIVIDSA-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 | 554.505 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU733 |