| SpectraBase Compound ID | IqgZ9qnQtQE |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-27(3,19-32)14-16-31(21,25(34)35-7)17-15-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22-,23+,24-,27+,28-,29+,30+,31-/m0/s1 |
| InChIKey | APWKRIUMZUJNPQ-GFSNXNQXSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXtSNgwzhOW |
|---|---|
| Name | MESEMBRYANTHEMOIDIGENIC-ACID,METHYLESTER |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-27(3,19-32)14-16-31(21,25(34)35-7)17-15-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22-,23+,24-,27+,28-,29+,30+,31-/m0/s1 |
| InChIKey | APWKRIUMZUJNPQ-GFSNXNQXSA-N |
| Literature Reference Author | A.IKUTA,H.ITOKAWA |
| Literature Reference Citation | PHYTOCHEM.,25,1625(1986) |
| Literature Reference DOI | 10.1016/S0031-9422(00)81222-4 |
| Molecular Weight | 486.736 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK446 |