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(2R)-2,4-Dimethyl-8-{2'-[(R)-4"-(toluenesulfonylmethyl)hexyl]-[1',3']dioxolan-2'-yl}-octan-1-ol
SpectraBase Compound ID 6zaq6AN421l
InChI InChI=1S/C27H46O5S/c1-5-25(21-33(29,30)26-13-11-22(2)12-14-26)10-8-16-27(31-17-18-32-27)15-7-6-9-23(3)19-24(4)20-28/h11-14,23-25,28H,5-10,15-21H2,1-4H3/t23?,24-,25-/m1/s1
InChIKey QAOUQJXMBNUGLE-OPWSDZRHSA-N
Mol Weight 482.7 g/mol
Molecular Formula C27H46O5S
Exact Mass 482.306596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tUKOy2jAi1
Name (2R)-2,4-Dimethyl-8-{2'-[(R)-4"-(toluenesulfonylmethyl)hexyl]-[1',3']dioxolan-2'-yl}-octan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O5S
InChI InChI=1S/C27H46O5S/c1-5-25(21-33(29,30)26-13-11-22(2)12-14-26)10-8-16-27(31-17-18-32-27)15-7-6-9-23(3)19-24(4)20-28/h11-14,23-25,28H,5-10,15-21H2,1-4H3/t23?,24-,25-/m1/s1
InChIKey QAOUQJXMBNUGLE-OPWSDZRHSA-N
Molecular Weight 482.720 g/mol
SMILES OC[C@@](CC(CCCCC1(CCC[C@](CS(c2ccc(cc2)C)(=O)=O)(CC)[H])OCCO1)C)(C)[H]
SPLASH splash10-004i-3197000000-55a7144a385c0b8d6303
Source of Spectrum U-1994-728-2
Synonyms (25R)-2,4-Dimethyl-8-{2'-[4''-(toluenesulfonylmethyl)hexyl]-[1',3']dioxolan-2'-yl}-octan-1-ol (2R)-2,4-dimethyl-8-[2-((4R)-4-{[(4-methylphenyl)sulfonyl]methyl}hexyl)-1,3-dioxolan-2-yl]-1-octanol
Wiley ID 766067