| SpectraBase Compound ID | 46hUNXhb5lG |
|---|---|
| InChI | InChI=1S/C27H40O2/c1-20-12-15-25-26(3,4)16-9-17-27(25,5)24(20)14-13-23(21(2)28)19-29-18-22-10-7-6-8-11-22/h6-8,10-11,13,21,24-25,28H,1,9,12,14-19H2,2-5H3/b23-13+/t21-,24+,25?,27-/m1/s1 |
| InChIKey | FSOCCYQBJZJQTN-IDQATFFJSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C27H40O2 |
| Exact Mass | 396.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZnlzQ75V2d |
|---|---|
| Name | 15-METHYL-14-HYDROXY-LABDA-8(17),12-DIEN-16-BENZYLETHER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O2 |
| InChI | InChI=1S/C27H40O2/c1-20-12-15-25-26(3,4)16-9-17-27(25,5)24(20)14-13-23(21(2)28)19-29-18-22-10-7-6-8-11-22/h6-8,10-11,13,21,24-25,28H,1,9,12,14-19H2,2-5H3/b23-13+/t21-,24+,25?,27-/m1/s1 |
| InChIKey | FSOCCYQBJZJQTN-IDQATFFJSA-N |
| Literature Reference Author | L.K.SY,G.D.BROWN |
| Literature Reference Citation | PHYTOCHEM.,49,1741(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00298-2 |
| Molecular Weight | 396.613 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU666 |