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[(2S,3S,4S,7R)-7-hydroxy-3,4,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate

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[(2S,3S,4S,7R)-7-hydroxy-3,4,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate
SpectraBase Compound ID K8Qawk6t6r5
InChI InChI=1S/C22H32O5/c1-13-18(27-14(2)23)11-17-16(6-7-19(24)21(17,3)4)22(13,5)9-8-15-10-20(25)26-12-15/h10,13,18-19,24H,6-9,11-12H2,1-5H3/t13-,18+,19-,22+/m1/s1
InChIKey BWLVRMBIDKYJQQ-SQOVXBCMSA-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 9dEbbn1DUAI
Name [(2S,3S,4S,7R)-7-hydroxy-3,4,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate
Appearance Colorless block crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-13-18(27-14(2)23)11-17-16(6-7-19(24)21(17,3)4)22(13,5)9-8-15-10-20(25)26-12-15/h10,13,18-19,24H,6-9,11-12H2,1-5H3/t13-,18+,19-,22+/m1/s1
InChIKey BWLVRMBIDKYJQQ-SQOVXBCMSA-N
Ionization Type EI
Molecular Weight 376.493 g/mol
Optical Rotation [a]D16.1 = -55.6 (c = 0.15, MeOH)
Reported Formula C22H32O5
SMILES O[C@@]1(CCC2=C(C1(C)C)C[C@@]([C@]([C@@]2(CCC=1COC(C1)=O)C)(C)[H])(OC(=O)C)[H])[H]
SPLASH splash10-0019-8921000000-0906878cf256465015b1
Source of Spectrum CN103923076B
Wiley ID 1850753