| SpectraBase Compound ID | 5K53qzoEY6Z |
|---|---|
| InChI | InChI=1S/C39H56O2/c1-26(2)28-18-21-36(5)24-25-38(7)29(34(28)36)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-14,17,28-32,34H,1,15-16,18-25H2,2-8H3/b17-14+/t28-,29+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1 |
| InChIKey | HHCSYPMWJQHCMZ-HWCKACSDSA-N |
| Mol Weight | 556.9 g/mol |
| Molecular Formula | C39H56O2 |
| Exact Mass | 556.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXL5VRUb1SS |
|---|---|
| Name | LUPEOYL-3-BETA-O-CINNAMATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O2 |
| InChI | InChI=1S/C39H56O2/c1-26(2)28-18-21-36(5)24-25-38(7)29(34(28)36)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-14,17,28-32,34H,1,15-16,18-25H2,2-8H3/b17-14+/t28-,29+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1 |
| InChIKey | HHCSYPMWJQHCMZ-HWCKACSDSA-N |
| Literature Reference Author | A.D.S.BARRETO,M.G.D.CARVALHO,I.D.A.NERY,L.GONZAGA,M.A.C.KAPL AN |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,9,430(1998) |
| Literature Reference DOI | 10.1590/s0103-50531998000500004 |
| Molecular Weight | 556.872 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS5517 |