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1,7-Dioxaspiro[5.5]undecane-2-methanol, 4-hydroxy-8,9-dimethyl-, .alpha.-(4-methylbenzenesulfonate), [2S-[2.alpha.,4.alpha.,6.beta.(8S*,9R*)]]-
SpectraBase Compound ID GZSviY0L4R0
InChI InChI=1S/C19H28O6S/c1-13-4-6-18(7-5-13)26(21,22)23-12-17-10-16(20)11-19(25-17)9-8-14(2)15(3)24-19/h4-7,14-17,20H,8-12H2,1-3H3/t14-,15+,16-,17-,19-/m0/s1
InChIKey PILHXFIUCXKXRX-OREBXVKISA-N
Mol Weight 384.49 g/mol
Molecular Formula C19H28O6S
Exact Mass 384.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TmLEGW1g79
Name 1,7-Dioxaspiro[5.5]undecane-2-methanol, 4-hydroxy-8,9-dimethyl-, .alpha.-(4-methylbenzenesulfonate), [2S-[2.alpha.,4.alpha.,6.beta.(8S*,9R*)]]-
CAS Registry Number 107692-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O6S
InChI InChI=1S/C19H28O6S/c1-13-4-6-18(7-5-13)26(21,22)23-12-17-10-16(20)11-19(25-17)9-8-14(2)15(3)24-19/h4-7,14-17,20H,8-12H2,1-3H3/t14-,15+,16-,17-,19-/m0/s1
InChIKey PILHXFIUCXKXRX-OREBXVKISA-N
Molecular Weight 384.487 g/mol
SMILES O[C@@]1(C[C@]2(O[C@](COS(c3ccc(cc3)C)(=O)=O)(C1)[H])O[C@](C)([C@](CC2)(C)[H])[H])[H]
SPLASH splash10-052b-9400000000-080a9d8b2215132da37e
Source of Spectrum KC-1987-1630-27
Synonyms (2R,3S,6S,8S,10S)-(+)-2,3-dimethyl-10-hydroxy-8-(p-tolylsulphonyloxy)methyl-1,7-dioxaspiro[5.5]undecane [(2S,4S,6S,8R,9S)-4-hydroxy-8,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl 4-methylbenzenesulfonate
Wiley ID 1361407