| SpectraBase Compound ID | AoZOb5HDLIb |
|---|---|
| InChI | InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27-,30-,32-,33+,34+,35?/m0/s1 |
| InChIKey | FYODXPUPZMUKOK-QAXSJVDJSA-N |
| Mol Weight | 588.8 g/mol |
| Molecular Formula | C35H56O7 |
| Exact Mass | 588.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SL2h6Qbswb |
|---|---|
| Name | PENDULIC-ACID;3-BETA-O-MALONYL-12-BETA-O-ACETYL-20S-HYDROXY-DAMMAR-24-ENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O7 |
| InChI | InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27-,30-,32-,33+,34+,35?/m0/s1 |
| InChIKey | FYODXPUPZMUKOK-QAXSJVDJSA-N |
| Literature Reference Author | H.T.TAIPALE,J.VEPSAELAEINEN,R.LAATIKAINEN,P.B.REICHARDT,S.P. LAPINJOKI |
| Literature Reference Citation | PHYTOCHEM.,34,755(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85354-T |
| Molecular Weight | 588.825 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6657 |