| SpectraBase Compound ID | DSZTRXb7XXo |
|---|---|
| InChI | InChI=1S/C43H66O4/c1-28(12-15-32-29(2)13-16-33-39(4,5)20-10-22-41(32,33)8)19-25-46-36(44)26-37(45)47-38-30(3)31-14-17-35-42(9)23-11-21-40(6,7)34(42)18-24-43(35,38)27-31/h19,31-35,38H,2-3,10-18,20-27H2,1,4-9H3/b28-19+/t31-,32-,33-,34+,35-,38+,41+,42+,43-/m0/s1 |
| InChIKey | MVCQNWZGEMLNNR-OZGQLJNPSA-N |
| Mol Weight | 647.0 g/mol |
| Molecular Formula | C43H66O4 |
| Exact Mass | 646.496111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9x55tmSTRKb |
|---|---|
| Name | ENT-KAUR-16-EN-15-BETA-YL-ENT-LABDA-8(17),13-DIEN-15-YL-MALONATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H66O4 |
| InChI | InChI=1S/C43H66O4/c1-28(12-15-32-29(2)13-16-33-39(4,5)20-10-22-41(32,33)8)19-25-46-36(44)26-37(45)47-38-30(3)31-14-17-35-42(9)23-11-21-40(6,7)34(42)18-24-43(35,38)27-31/h19,31-35,38H,2-3,10-18,20-27H2,1,4-9H3/b28-19+/t31-,32-,33-,34+,35-,38+,41+,42+,43-/m0/s1 |
| InChIKey | MVCQNWZGEMLNNR-OZGQLJNPSA-N |
| Literature Reference Author | U.LANGENBAHN,G.BURKHARDT,H.BECKER |
| Literature Reference Citation | PHYTOCHEM.,33,1173(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85044-R |
| Molecular Weight | 646.995 g/mol |
| Solvent | CDCl3 |