| SpectraBase Compound ID | pOlfgDJMme |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-20(2)22-10-11-25-24(28(22,5)16-15-27(32)33-9)14-17-31(8)26-13-12-23(21(3)4)29(26,6)18-19-30(25,31)7/h14,21-23,25-26H,1,10-13,15-19H2,2-9H3/t22-,23+,25+,26+,28-,29+,30+,31-/m0/s1 |
| InChIKey | BDDXSALGPIOQII-RSUIOEQVSA-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 | 9VhCabjMiNk |
|---|---|
| Name | METHYL-3,4-SECO-8-BETA-H-FERNA-4(23),9(11)-DIEN-3-OATE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-20(2)22-10-11-25-24(28(22,5)16-15-27(32)33-9)14-17-31(8)26-13-12-23(21(3)4)29(26,6)18-19-30(25,31)7/h14,21-23,25-26H,1,10-13,15-19H2,2-9H3/t22-,23+,25+,26+,28-,29+,30+,31-/m0/s1 |
| InChIKey | BDDXSALGPIOQII-RSUIOEQVSA-N |
| Literature Reference Author | R.TANAKA,T.IDA,S.KITA,W.KAMISAKO,S.MATSUNAGA |
| Literature Reference Citation | PHYTOCHEM.,41,1163(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00721-0 |
| Molecular Weight | 454.737 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4288 |