| SpectraBase Compound ID | 7yA8koNFFOC |
|---|---|
| InChI | InChI=1S/C18H28O3/c1-12-6-9-15-17(3,14(12)8-7-13(2)19)10-5-11-18(15,4)16(20)21/h14-15H,1,5-11H2,2-4H3,(H,20,21)/t14-,15?,17+,18-/m0/s1 |
| InChIKey | WJXLWXJYJCBHME-NDNZDJEJSA-N |
| Mol Weight | 292.42 g/mol |
| Molecular Formula | C18H28O3 |
| Exact Mass | 292.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rsVCgnHtFu |
|---|---|
| Name | NOR-LABDANE_METABOLITE;14,15-DINORLABD-8-(17)-EN-13-ON-19-OIC_ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H28O3 |
| InChI | InChI=1S/C18H28O3/c1-12-6-9-15-17(3,14(12)8-7-13(2)19)10-5-11-18(15,4)16(20)21/h14-15H,1,5-11H2,2-4H3,(H,20,21)/t14-,15?,17+,18-/m0/s1 |
| InChIKey | WJXLWXJYJCBHME-NDNZDJEJSA-N |
| Literature Reference Author | S.J.LIN,J.P.N.ROSAZZA |
| Literature Reference Citation | J.NAT.PROD.,61,922(1998) |
| Literature Reference DOI | 10.1021/np980064b |
| Molecular Weight | 292.419 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ1129 |