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[(2R,3S,4R,4aR,8R,8aR)-3,4,8,8a-tetramethyl-7-oxo-4-[2-(5-oxo-2H-furan-3-yl)ethyl]decalin-2-yl] acetate
SpectraBase Compound ID 9tguomY5OQF
InChI InChI=1S/C22H32O5/c1-13-17(24)6-7-19-21(4,9-8-16-10-20(25)26-12-16)14(2)18(27-15(3)23)11-22(13,19)5/h10,13-14,18-19H,6-9,11-12H2,1-5H3/t13-,14+,18+,19+,21-,22-/m0/s1
InChIKey LHDNTSJGQDQXHV-CSIIEFNHSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCfuHuCTTEG
Name [(2R,3S,4R,4aR,8R,8aR)-3,4,8,8a-tetramethyl-7-oxo-4-[2-(5-oxo-2H-furan-3-yl)ethyl]decalin-2-yl] acetate
Appearance White powder
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Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-13-17(24)6-7-19-21(4,9-8-16-10-20(25)26-12-16)14(2)18(27-15(3)23)11-22(13,19)5/h10,13-14,18-19H,6-9,11-12H2,1-5H3/t13-,14+,18+,19+,21-,22-/m0/s1
InChIKey LHDNTSJGQDQXHV-CSIIEFNHSA-N
Ionization Type EI
Molecular Weight 376.493 g/mol
Optical Rotation [a]D14.7 = -12.2 (c = 0.30, MeOH)
Reported Formula C22H32O5
SMILES C1C[C@]2([C@@](C[C@]([C@]([C@@]2(CCC=2COC(C2)=O)C)(C)[H])(OC(=O)C)[H])([C@](C1=O)(C)[H])C)[H]
SPLASH splash10-0a5a-4692000000-be6ea6db2d397c2847fc
Source of Spectrum CN103923076B
Wiley ID 1850762