| SpectraBase Compound ID | 3pT2BvMHxju |
|---|---|
| InChI | InChI=1S/2C20H26N2O2/c2*1-3-11-8-12-9-16-18-15(6-7-22(19(11)16)20(12)23)14-5-4-13(24-2)10-17(14)21-18/h2*4-5,10-12,16,19-21,23H,3,6-9H2,1-2H3/t2*11?,12?,16-,19?,20?/m00/s1 |
| InChIKey | YZPDJDGZHHEVLH-OPXGPRBMSA-N |
| Mol Weight | 652.88 g/mol |
| Molecular Formula | C40H52N4O4 |
| Exact Mass | 652.398856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFEzWgGEhRI |
|---|---|
| Name | 3R/S-HYDROXYTABERNANTHINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H52N4O4 |
| InChI | InChI=1S/2C20H26N2O2/c2*1-3-11-8-12-9-16-18-15(6-7-22(19(11)16)20(12)23)14-5-4-13(24-2)10-17(14)21-18/h2*4-5,10-12,16,19-21,23H,3,6-9H2,1-2H3/t2*11?,12?,16-,19?,20?/m00/s1 |
| InChIKey | YZPDJDGZHHEVLH-OPXGPRBMSA-N |
| Literature Reference Author | V.S.P.CHATURVEDULA,S.SPRAGUE,J.K.SCHILLING,D.G.I.KINGSTON |
| Literature Reference Citation | J.NAT.PROD.,66,528(2003) |
| Literature Reference DOI | 10.1021/np020548e |
| Molecular Weight | 652.877 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7619 |