| SpectraBase Compound ID | 5GEsMpUCc0A |
|---|---|
| InChI | InChI=1S/C45H80O3/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-42(46)47-37-30-33-44(4)40-31-32-43(3)36(26-24-22-12-10-8-6-2)28-29-39(43)38(40)34-41-45(44,35-37)48-41/h36-41H,5-35H2,1-4H3/t36-,37-,38?,39?,40?,41+,43?,44?,45+/m0/s1 |
| InChIKey | HRKWZMXFVSZOKK-RQCDMSKASA-N |
| Mol Weight | 669.1 g/mol |
| Molecular Formula | C45H80O3 |
| Exact Mass | 668.610746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70DJpUdLFZQ |
|---|---|
| Name | HRKWZMXFVSZOKK-RQCDMSKASA-N |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H80O3 |
| InChI | InChI=1S/C45H80O3/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-42(46)47-37-30-33-44(4)40-31-32-43(3)36(26-24-22-12-10-8-6-2)28-29-39(43)38(40)34-41-45(44,35-37)48-41/h36-41H,5-35H2,1-4H3/t36-,37-,38?,39?,40?,41+,43?,44?,45+/m0/s1 |
| InChIKey | HRKWZMXFVSZOKK-RQCDMSKASA-N |
| Literature Reference Author | R.M.CRAVERO,G.R.LABADIE,M.G.SIERRA |
| Literature Reference Citation | CAN.J.CHEM.,80,774(2002) |
| Literature Reference DOI | 10.1139/v02-107 |
| Molecular Weight | 669.128 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ18908 |