| SpectraBase Compound ID | 4IZEBD7YLU8 |
|---|---|
| InChI | InChI=1S/C29H40O4/c1-20(10-11-22-18-23(30-7)17-21(2)25(22)31-8)16-24-19-27(5)12-9-13-28(27,6)29(32-24)15-14-26(3,4)33-29/h10,14-15,17-19H,9,11-13,16H2,1-8H3/b20-10+/t27-,28-,29+/m0/s1 |
| InChIKey | ZTJOUHBWHRZEJJ-YTJDJDANSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C29H40O4 |
| Exact Mass | 452.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQ1alH9zpnv |
|---|---|
| Name | (7S,11S,12S)-4'-METHOXY-CYSTOKETAL |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O4 |
| InChI | InChI=1S/C29H40O4/c1-20(10-11-22-18-23(30-7)17-21(2)25(22)31-8)16-24-19-27(5)12-9-13-28(27,6)29(32-24)15-14-26(3,4)33-29/h10,14-15,17-19H,9,11-13,16H2,1-8H3/b20-10+/t27-,28-,29+/m0/s1 |
| InChIKey | ZTJOUHBWHRZEJJ-YTJDJDANSA-N |
| Literature Reference Author | D.W.LAIRD,I.A.V.ALTENA |
| Literature Reference Citation | PHYTOCHEM.,67,944(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.03.011 |
| Molecular Weight | 452.634 g/mol |
| Sample ID | 66221 |
| Solvent | CDCl3 |