| SpectraBase Compound ID | 1aT4OTn35sg |
|---|---|
| InChI | InChI=1S/C39H56O4/c1-25(2)28-16-21-39(24-40)23-22-37(6)29(34(28)39)13-14-31-36(5)19-18-32(35(3,4)30(36)17-20-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-12,15,28-32,34,40-41H,1,13-14,16-24H2,2-7H3/b15-10+/t28-,29+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1 |
| InChIKey | FKTQBZHKUPHHSC-LNVBJZNQSA-N |
| Mol Weight | 588.9 g/mol |
| Molecular Formula | C39H56O4 |
| Exact Mass | 588.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEyBoCHBEQO |
|---|---|
| Name | (E)-BETULIN-3-BETA-PARA-COUMARATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O4 |
| InChI | InChI=1S/C39H56O4/c1-25(2)28-16-21-39(24-40)23-22-37(6)29(34(28)39)13-14-31-36(5)19-18-32(35(3,4)30(36)17-20-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-12,15,28-32,34,40-41H,1,13-14,16-24H2,2-7H3/b15-10+/t28-,29+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1 |
| InChIKey | FKTQBZHKUPHHSC-LNVBJZNQSA-N |
| Literature Reference Author | M.A.RASHID,A.I.GRAY,P.G.WATERMAN,J.A.ARMSTRONG |
| Literature Reference Citation | J.NAT.PROD.,55,851(1992) |
| Literature Reference DOI | 10.1021/np50085a003 |
| Molecular Weight | 588.871 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS5544 |