| SpectraBase Compound ID | IE37ru014md |
|---|---|
| InChI | InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-29(34(43)36(3,4)30(37)16-17-39(31,38)7)47-32(42)14-10-25-9-12-27(41)28(21-25)46-8/h9-12,14,21,23-24,29-31,33-34,41,43H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+/t23?,24?,29-,30+,31-,33+,34+,37?,38?,39?,40+/m1/s1 |
| InChIKey | QVWRWMJXTWVRCW-SNXPIVJCSA-N |
| Mol Weight | 648.9 g/mol |
| Molecular Formula | C40H56O7 |
| Exact Mass | 648.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | eWNFGjat25 |
|---|---|
| Name | 2-ALPHA-O-TRANS-FERULYL-3-BETA-HYDROXY-URS-12-EN-28-OIC-ACID |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O7 |
| InChI | InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-29(34(43)36(3,4)30(37)16-17-39(31,38)7)47-32(42)14-10-25-9-12-27(41)28(21-25)46-8/h9-12,14,21,23-24,29-31,33-34,41,43H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+/t23?,24?,29-,30+,31-,33+,34+,37?,38?,39?,40+/m1/s1 |
| InChIKey | QVWRWMJXTWVRCW-SNXPIVJCSA-N |
| Literature Reference Author | H.HAEBERLEIN,K.P.TSCHIERSCH |
| Literature Reference Citation | PHYTOCHEM.,35,765(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90601-0 |
| Molecular Weight | 648.880 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU25136 |