| SpectraBase Compound ID | 5bPTOYzAm7A |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-20(2)22-12-15-28(5)18-19-30(7)24(27(22)28)10-11-25-29(6,16-14-26(32)33-9)23(21(3)4)13-17-31(25,30)8/h22-25,27H,1,3,10-19H2,2,4-9H3 |
| InChIKey | QSMKZPFEDLONIK-UHFFFAOYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4PKReSZlGDD |
|---|---|
| Name | 3,4-SECOLUPA-4,20-DIEN-3-OIC ACID METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-20(2)22-12-15-28(5)18-19-30(7)24(27(22)28)10-11-25-29(6,16-14-26(32)33-9)23(21(3)4)13-17-31(25,30)8/h22-25,27H,1,3,10-19H2,2,4-9H3 |
| InChIKey | QSMKZPFEDLONIK-UHFFFAOYSA-N |
| NMR Standard | TMS |
| Solvent | CDCL3 |