| SpectraBase Compound ID | 5jjzvkQEVPE |
|---|---|
| InChI | InChI=1S/C40H56O7/c1-35(2)17-19-40(34(44)45)20-18-38(6)25(26(40)22-35)11-13-31-37(5)23-28(42)33(36(3,4)30(37)15-16-39(31,38)7)47-32(43)14-10-24-9-12-27(41)29(21-24)46-8/h9-12,14,21,26,28,30-31,33,41-42H,13,15-20,22-23H2,1-8H3,(H,44,45)/b14-10+/t26?,28-,30?,31?,33+,37+,38-,39-,40?/m1/s1 |
| InChIKey | NCAUKTRHFNKPLU-HTJFAXCZSA-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 | 79DESyk7ihB |
|---|---|
| Name | EUCALYPTOLIC_ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O7 |
| InChI | InChI=1S/C40H56O7/c1-35(2)17-19-40(34(44)45)20-18-38(6)25(26(40)22-35)11-13-31-37(5)23-28(42)33(36(3,4)30(37)15-16-39(31,38)7)47-32(43)14-10-24-9-12-27(41)29(21-24)46-8/h9-12,14,21,26,28,30-31,33,41-42H,13,15-20,22-23H2,1-8H3,(H,44,45)/b14-10+/t26?,28-,30?,31?,33+,37+,38-,39-,40?/m1/s1 |
| InChIKey | NCAUKTRHFNKPLU-HTJFAXCZSA-N |
| Literature Reference Author | S.Y.RYU,Z.NO,S.H.KIM,J.W.AHN |
| Literature Reference Citation | PLANTA.MED.,63,44(1997) |
| Literature Reference DOI | 10.1055/s-2006-957601 |
| Molecular Weight | 648.880 g/mol |
| Solvent | MEOH-D4 |
| Source File Reference | UIAP1015 |