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(2R,3S,4S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,4-dimethyl-3-oxidanyl-5-phenylmethoxy-pentan-1-one
SpectraBase Compound ID Hn2n6apI8cO
InChI InChI=1S/C22H32O5/c1-16(13-25-14-18-9-5-3-6-10-18)20(23)17(2)21(24)19-15-26-22(27-19)11-7-4-8-12-22/h3,5-6,9-10,16-17,19-20,23H,4,7-8,11-15H2,1-2H3/t16-,17+,19-,20-/m0/s1
InChIKey BQUXNOPHIRYXHW-HNJRGHQBSA-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 26lSVx63lIp
Name (2R,3S,4S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,4-dimethyl-3-oxidanyl-5-phenylmethoxy-pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-16(13-25-14-18-9-5-3-6-10-18)20(23)17(2)21(24)19-15-26-22(27-19)11-7-4-8-12-22/h3,5-6,9-10,16-17,19-20,23H,4,7-8,11-15H2,1-2H3/t16-,17+,19-,20-/m0/s1
InChIKey BQUXNOPHIRYXHW-HNJRGHQBSA-N
Molecular Weight 376.493 g/mol
SMILES O[C@]([C@](C([C@]1(OC2(CCCCC2)OC1)[H])=O)(C)[H])([C@](COCc1ccccc1)(C)[H])[H]
SPLASH splash10-0006-9500000000-694686bedf35621690ba
Source of Spectrum F-70-8137-10
Synonyms (2R,3S,4S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-2,4-dimethyl-5-phenylmethoxy-1-pentanone (2R,3S,4S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentan-1-one (2R,3S,4S)-5-benzoxy-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-2,4-dimethyl-pentan-1-one (2R,3S,4S)-5-benzyloxy-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-2,4-dimethyl-pentan-1-one
Wiley ID 1597524