| SpectraBase Compound ID | 4scL2G4fYUa |
|---|---|
| InChI | InChI=1S/C33H38O11/c1-15(2)27(38)43-26-22(42-16(3)34)24-29(4)11-9-19(35)30(5,28(39)40-8)23(29)21(36)25(37)32(24,7)33-20(44-33)13-18(31(26,33)6)17-10-12-41-14-17/h9-12,14-15,18,20,22,24,26,36H,13H2,1-8H3/t18-,20+,22+,24?,26-,29-,30-,31+,32-,33+/m0/s1 |
| InChIKey | OUFHYNGJGJXVFE-NQRBJJEVSA-N |
| Mol Weight | 610.7 g/mol |
| Molecular Formula | C33H38O11 |
| Exact Mass | 610.241412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CoSEYIIU3Gb |
|---|---|
| Name | METHYL-6-HYDROXY-11-BETA-ACETOXY-12-MELIACADIEN-29-OATE-(2-METHYLPROPANOYLOXY)-3,7-DIOXO-14-BETA,15-BETA-EPOXY-1,5-MELIACADIEN-29-OATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38O11 |
| InChI | InChI=1S/C33H38O11/c1-15(2)27(38)43-26-22(42-16(3)34)24-29(4)11-9-19(35)30(5,28(39)40-8)23(29)21(36)25(37)32(24,7)33-20(44-33)13-18(31(26,33)6)17-10-12-41-14-17/h9-12,14-15,18,20,22,24,26,36H,13H2,1-8H3/t18-,20+,22+,24?,26-,29-,30-,31+,32-,33+/m0/s1 |
| InChIKey | OUFHYNGJGJXVFE-NQRBJJEVSA-N |
| Literature Reference Author | M.S.J.SIMMONDS,P.C.STEVENSON,E.A.PORTER,N.C.VEITCH |
| Literature Reference Citation | J.NAT.PROD.,64,1117(2001) |
| Literature Reference DOI | 10.1021/np010197o |
| Molecular Weight | 610.658 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1849 |