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(2R)-2-[[(4S,8R,11S)-11-isopropyl-8-methyl-1,5-dioxaspiro[5.5]undecan-4-yl]methyl]-2,3-dihydropyran-4-one
SpectraBase Compound ID 4VEJmgt6zxv
InChI InChI=1S/C19H30O4/c1-13(2)18-5-4-14(3)12-19(18)22-9-7-16(23-19)11-17-10-15(20)6-8-21-17/h6,8,13-14,16-18H,4-5,7,9-12H2,1-3H3/t14-,16+,17+,18+,19?/m1/s1
InChIKey CSKUSCQYBMONSW-GQBKBMAPSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KC7ZKH9LaO
Name (2R)-2-[[(4S,8R,11S)-11-isopropyl-8-methyl-1,5-dioxaspiro[5.5]undecan-4-yl]methyl]-2,3-dihydropyran-4-one
Appearance Colorless solid
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Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-13(2)18-5-4-14(3)12-19(18)22-9-7-16(23-19)11-17-10-15(20)6-8-21-17/h6,8,13-14,16-18H,4-5,7,9-12H2,1-3H3/t14-,16+,17+,18+,19?/m1/s1
InChIKey CSKUSCQYBMONSW-GQBKBMAPSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 322.445 g/mol
Optical Rotation [a]D20 = +42.5 (c = 1.59, CH2Cl2)
Reported Formula C19H30O4
SMILES C1C[C@](OC2(O1)[C@@](CC[C@](C2)(C)[H])(C(C)C)[H])(C[C@]1(OC=CC(C1)=O)[H])[H]
SPLASH splash10-00sd-9733000000-df894e5ea31f12762b43
Source of Spectrum US20100280262A1
Thin-Layer Chromatography Rf = 0.25 (15% EtOAc/hexanes)
Wiley ID 1844164