| SpectraBase Compound ID | 1gVZW4VSWHP |
|---|---|
| InChI | InChI=1S/C29H36O5/c1-7-18(2)27(31)34-25-14-15-29(6)22(19(3)8-12-24(29)28(25,4)5)17-32-21-11-9-20-10-13-26(30)33-23(20)16-21/h7,9-11,13,16,22,24-25H,3,8,12,14-15,17H2,1-2,4-6H3/b18-7+/t22-,24-,25-,29+/m1/s1 |
| InChIKey | RXCOPEUPNGTASP-LUOWLKKQSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C29H36O5 |
| Exact Mass | 464.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hc0IQCEx4D |
|---|---|
| Name | 3-ANGELOXYCOLADIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O5 |
| InChI | InChI=1S/C29H36O5/c1-7-18(2)27(31)34-25-14-15-29(6)22(19(3)8-12-24(29)28(25,4)5)17-32-21-11-9-20-10-13-26(30)33-23(20)16-21/h7,9-11,13,16,22,24-25H,3,8,12,14-15,17H2,1-2,4-6H3/b18-7+/t22-,24-,25-,29+/m1/s1 |
| InChIKey | RXCOPEUPNGTASP-LUOWLKKQSA-N |
| Literature Reference Author | A.A.AHMED,M.E.F.HEGAZY,A.ZELLAGUI,S.RHOUATI,T.A.MOHAMED,A.A. SAYED,M.A.ABDELLA,S. |
| Literature Reference Citation | PHYTOCHEM.,68,680(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.12.011 |
| Molecular Weight | 464.602 g/mol |
| Sample ID | 42639 |
| Solvent | CDCl3 |