![LAEVIGATLACTONE_D;(1-R*,2-R*,3-E,7-E,11-E)-1-ISOPROPYL-2-HYDROXY-4,8-DIMETHYL-21-OXABICYCLO-[10.2.2]-HEXADECA-3,7,11-TRIEN-20-ONE](/api/spectrum/I1OZ93xCKAw/structure.png?h=300&w=458 "LAEVIGATLACTONE_D;(1-R*,2-R*,3-E,7-E,11-E)-1-ISOPROPYL-2-HYDROXY-4,8-DIMETHYL-21-OXABICYCLO-[10.2.2]-HEXADECA-3,7,11-TRIEN-20-ONE")
| SpectraBase Compound ID | 4JQdQJ0p66a |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-14(2)20-12-11-17(19(22)23-20)10-6-8-15(3)7-5-9-16(4)13-18(20)21/h7,10,13-14,18,21H,5-6,8-9,11-12H2,1-4H3/b15-7+,16-13+,17-10+/t18-,20-/m1/s1 |
| InChIKey | DXNWAXUHRVOQGY-APCNEZGLSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I1OZ93xCKAw |
|---|---|
| Name | Laevigatlactone D |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-14(2)20-12-11-17(19(22)23-20)10-6-8-15(3)7-5-9-16(4)13-18(20)21/h7,10,13-14,18,21H,5-6,8-9,11-12H2,1-4H3/b15-7+,16-13+,17-10+/t18-,20-/m1/s1 |
| InChIKey | DXNWAXUHRVOQGY-APCNEZGLSA-N |
| Instrument Name | GCMS-QP 2010 Shimadzu |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np100044t |
| Molecular Weight | 318.457 g/mol |
| Optical Rotation | [a]D25 = +30.9 (c = 0.07, MeOH) |
| Reported Formula | C20H30O3 |
| SMILES | O[C@@]1(\C=C\(CC\C=C/(C)CC\C=C/2CC[C@]1(C(C)C)OC2=O)C)[H] |
| SPLASH | splash10-059x-9110000000-df5b6f775b7f08851282 |
| Source of Spectrum | G4-73-795-4 |
| Wiley ID | 1848950 |