| SpectraBase Compound ID | E5YPODFOvNy |
|---|---|
| InChI | InChI=1S/C36H54O12/c1-12-18(5)31(41)47-29-26-27(46-24(39)13-2)19(6)15-36(26,43)32(42)34(11,48-21(8)38)28-25-22(33(25,9)10)14-23(45-20(7)37)35(28,29)16-44-30(40)17(3)4/h17-19,22-23,25-29,43H,12-16H2,1-11H3/t18?,19-,22-,23+,25-,26+,27-,28-,29+,34-,35+,36+/m0/s1 |
| InChIKey | ZFPRYBONBGSXDA-LERTYGDPSA-N |
| Mol Weight | 678.8 g/mol |
| Molecular Formula | C36H54O12 |
| Exact Mass | 678.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72Lseono6mW |
|---|---|
| Name | PREMYRSINOL-3-PROPANOATE-5-(ALPHA-METHYL)-BUTYRATE-7,13-DIACETATE-17-ISOBUTYRATE |
| Compound Number | 4C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O12 |
| InChI | InChI=1S/C36H54O12/c1-12-18(5)31(41)47-29-26-27(46-24(39)13-2)19(6)15-36(26,43)32(42)34(11,48-21(8)38)28-25-22(33(25,9)10)14-23(45-20(7)37)35(28,29)16-44-30(40)17(3)4/h17-19,22-23,25-29,43H,12-16H2,1-11H3/t18?,19-,22-,23+,25-,26+,27-,28-,29+,34-,35+,36+/m0/s1 |
| InChIKey | ZFPRYBONBGSXDA-LERTYGDPSA-N |
| Literature Reference Author | G.APPENDINO,E.BELLORO,G.C.TRON,J.JAKUPOVIC,M.BALLERO |
| Literature Reference Citation | J.NAT.PROD.,62,1399(1999) |
| Literature Reference DOI | 10.1021/np990209u |
| Molecular Weight | 678.818 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS20808 |