![LAEVIGATLACTONE_F;(1-R*,2-E,4-S*,6-E,8-R*,11-E)-1-ISOPROPYL-4-HYDROXY-8-HYDROPEROXYL-4,8-DIMETHYL-21-OXABICYCLO-[10.2.2]-HEXADECA](/api/spectrum/QdniGeIw9J/structure.png?h=300&w=458 "LAEVIGATLACTONE_F;(1-R*,2-E,4-S*,6-E,8-R*,11-E)-1-ISOPROPYL-4-HYDROXY-8-HYDROPEROXYL-4,8-DIMETHYL-21-OXABICYCLO-[10.2.2]-HEXADECA")
| SpectraBase Compound ID | G0oYRjLPQmW |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-15(2)20-12-8-16(17(21)24-20)7-5-10-19(4,25-23)11-6-9-18(3,22)13-14-20/h6-7,11,13-15,22-23H,5,8-10,12H2,1-4H3/b11-6+,14-13+,16-7+/t18-,19+,20-/m0/s1 |
| InChIKey | MTLYMLXKPBANDE-SBOLXQTDSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | QdniGeIw9J |
|---|---|
| Name | Laevigatlactone F |
| Appearance | Colorless powders |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-15(2)20-12-8-16(17(21)24-20)7-5-10-19(4,25-23)11-6-9-18(3,22)13-14-20/h6-7,11,13-15,22-23H,5,8-10,12H2,1-4H3/b11-6+,14-13+,16-7+/t18-,19+,20-/m0/s1 |
| InChIKey | MTLYMLXKPBANDE-SBOLXQTDSA-N |
| Instrument Name | GCMS-QP 2010 Shimadzu |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np100044t |
| Molecular Weight | 350.455 g/mol |
| Optical Rotation | [a]D25 = +1.50 (c = 0.07, MeOH) |
| Reported Formula | C20H30O5 |
| SMILES | OO[C@]1(\C=C\C[C@@](\C=C\[C@]2(OC(\C(=C\CC1)CC2)=O)C(C)C)(O)C)C |
| SPLASH | splash10-0a5a-9500000000-80649f4784a5bc97ff15 |
| Source of Spectrum | G4-73-795-6 |
| Wiley ID | 1848952 |