| SpectraBase Compound ID | EbANan8fq33 |
|---|---|
| InChI | InChI=1S/C20H28O6/c1-11(2)10-14(22)26-20(5)12-6-8-18(3)13(21)7-9-19(4,24)16(18)15(12)25-17(20)23/h7,9-10,12-13,15-16,21,24H,6,8H2,1-5H3/t12-,13-,15-,16+,18-,19-,20+/m1/s1 |
| InChIKey | LFFOEDOAFGUKGN-IUPPOCIOSA-N |
| Mol Weight | 364.44 g/mol |
| Molecular Formula | C20H28O6 |
| Exact Mass | 364.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5cdil6fwSyl |
|---|---|
| Name | Penninnervin |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O6 |
| InChI | InChI=1S/C20H28O6/c1-11(2)10-14(22)26-20(5)12-6-8-18(3)13(21)7-9-19(4,24)16(18)15(12)25-17(20)23/h7,9-10,12-13,15-16,21,24H,6,8H2,1-5H3/t12-,13-,15-,16+,18-,19-,20+/m1/s1 |
| InChIKey | LFFOEDOAFGUKGN-IUPPOCIOSA-N |
| Instrument Name | JEOL JMSD-300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020014d |
| Molecular Weight | 364.438 g/mol |
| Optical Rotation | [a]D = -81.3 (c = 0.3, CHCl3) |
| Reported Formula | C20H28O6 |
| SMILES | O[C@@]1(C=C[C@]([C@@]2([C@@]1([C@]1([C@@](CC2)([C@@](C(O1)=O)(OC(C=C(C)C)=O)C)[H])[H])[H])C)(O)[H])C |
| SPLASH | splash10-0ufs-5973000000-8c4d810a77b9f36d779e |
| Source of Spectrum | G4-65-1902-17 |
| Wiley ID | 1883527 |