| SpectraBase Compound ID | 2EsdQ5qXRJy |
|---|---|
| InChI | InChI=1S/C35H40O19/c1-17(36)47-16-27-30(50-19(3)38)31(51-20(4)39)32(52-21(5)40)35(53-27)54-34-25(13-28(41)42)24(26(15-48-34)33(44)45-6)14-29(43)46-12-11-22-7-9-23(10-8-22)49-18(2)37/h7-10,13,15,24,27,30-32,34-35H,11-12,14,16H2,1-6H3,(H,41,42)/b25-13+/t24-,27-,30-,31+,32-,34-,35+/m1/s1 |
| InChIKey | NKNJLKGCUYBZFT-VJSTZLDRSA-N |
| Mol Weight | 764.7 g/mol |
| Molecular Formula | C35H40O19 |
| Exact Mass | 764.216379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdRWQQbH2O7 |
|---|---|
| Name | LIGUSTROSIDIC-ACID-PENTAACETATE |
| Compound Number | 193 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H40O19 |
| InChI | InChI=1S/C35H40O19/c1-17(36)47-16-27-30(50-19(3)38)31(51-20(4)39)32(52-21(5)40)35(53-27)54-34-25(13-28(41)42)24(26(15-48-34)33(44)45-6)14-29(43)46-12-11-22-7-9-23(10-8-22)49-18(2)37/h7-10,13,15,24,27,30-32,34-35H,11-12,14,16H2,1-6H3,(H,41,42)/b25-13+/t24-,27-,30-,31+,32-,34-,35+/m1/s1 |
| InChIKey | NKNJLKGCUYBZFT-VJSTZLDRSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 764.691 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4564 |