| SpectraBase Compound ID | DqAqe15nTfR |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-8-14(2)9-11-17-15(3)10-12-19-21(5,6)20(24)18(25-16(4)23)13-22(17,19)7/h8-9,17-20,24H,1,3,10-13H2,2,4-7H3/b14-9+/t17-,18+,19-,20-,22+/m1/s1 |
| InChIKey | NEEBXCYCZYWRJT-RWWKYDICSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXSTDZekSFW |
|---|---|
| Name | ENT-2-ALPHA-ACETOXYLABDA-8(17),12Z,14-TRIEN-3-BETA-OL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-8-14(2)9-11-17-15(3)10-12-19-21(5,6)20(24)18(25-16(4)23)13-22(17,19)7/h8-9,17-20,24H,1,3,10-13H2,2,4-7H3/b14-9+/t17-,18+,19-,20-,22+/m1/s1 |
| InChIKey | NEEBXCYCZYWRJT-RWWKYDICSA-N |
| Literature Reference Author | C.GASPAR-MARQUES,M.F.SIMOES,A.DUARTE,B.RODRIGUEZ |
| Literature Reference Citation | J.NAT.PROD.,66,491(2003) |
| Literature Reference DOI | 10.1021/np020493g |
| Molecular Weight | 346.510 g/mol |
| Solvent | CDCl3 |