![LAEVIGATLACTONE_E;(1-R*,2-E,4-S*,6-E,8-R*,11-E)-1-ISOPROPYL-4,8-DIHYDROXY-4,8-DIMETHYL-21-OXABICYCLO-[10.2.2]-HEXADECA-2,6,11-TRIEN-20-ONE](/api/spectrum/G008jOdaClT/structure.png?h=300&w=458 "LAEVIGATLACTONE_E;(1-R*,2-E,4-S*,6-E,8-R*,11-E)-1-ISOPROPYL-4,8-DIHYDROXY-4,8-DIMETHYL-21-OXABICYCLO-[10.2.2]-HEXADECA-2,6,11-TRIEN-20-ONE")
| SpectraBase Compound ID | L6tGq1MxiYQ |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-15(2)20-12-8-16(17(21)24-20)7-5-9-18(3,22)10-6-11-19(4,23)13-14-20/h6-7,10,13-15,22-23H,5,8-9,11-12H2,1-4H3/b10-6+,14-13+,16-7+/t18-,19+,20+/m1/s1 |
| InChIKey | MEAFWONLYRQXGA-BJPQEFDXSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G008jOdaClT |
|---|---|
| Name | Laevigatlactone E |
| Appearance | Colorless powders |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-15(2)20-12-8-16(17(21)24-20)7-5-9-18(3,22)10-6-11-19(4,23)13-14-20/h6-7,10,13-15,22-23H,5,8-9,11-12H2,1-4H3/b10-6+,14-13+,16-7+/t18-,19+,20+/m1/s1 |
| InChIKey | MEAFWONLYRQXGA-BJPQEFDXSA-N |
| Instrument Name | GCMS-QP 2010 Shimadzu |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np100044t |
| Molecular Weight | 334.456 g/mol |
| Optical Rotation | [a]D25 = +33.1 (c = 0.06, MeOH) |
| Reported Formula | C20H30O4 |
| SMILES | O[C@]1(\C=C\C[C@@](\C=C\[C@]2(OC(\C(=C\CC1)CC2)=O)C(C)C)(O)C)C |
| SPLASH | splash10-0006-9100000000-bfc9d658b8ba2b062899 |
| Source of Spectrum | G4-73-795-5 |
| Wiley ID | 1848951 |