| SpectraBase Compound ID | 3ThzQVEeVcV |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-18(14-19(32)16-27(2,3)35)20-10-12-30(7)21(20)15-22-25-29(6,17-24(33)37-22)23(11-13-31(25,30)8)28(4,5)26(34)36-9/h14,20-23,25,35H,10-13,15-17H2,1-9H3/b18-14+/t20-,21-,22-,23+,25-,29+,30-,31-/m1/s1 |
| InChIKey | ZLNJICWQVARQEL-TZWKFOGYSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eybp63OD1Ds |
|---|---|
| Name | VIBURNENONE-B1-METHYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-18(14-19(32)16-27(2,3)35)20-10-12-30(7)21(20)15-22-25-29(6,17-24(33)37-22)23(11-13-31(25,30)8)28(4,5)26(34)36-9/h14,20-23,25,35H,10-13,15-17H2,1-9H3/b18-14+/t20-,21-,22-,23+,25-,29+,30-,31-/m1/s1 |
| InChIKey | ZLNJICWQVARQEL-TZWKFOGYSA-N |
| Literature Reference Author | K.MACHIDA,M.KIKUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,692(1999) |
| Literature Reference DOI | 10.1248/cpb.47.692 |
| Molecular Weight | 516.719 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU8006 |