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Methyl 5.alpha.-hydroxy-3.alpha.,4.alpha.-isopropylidenedioxy-2.beta.-phenylthiocyclohexan-1.beta.-oate
SpectraBase Compound ID HEquVuP7gJ8
InChI InChI=1S/C17H22O5S/c1-17(2)21-13-12(18)9-11(16(19)20-3)15(14(13)22-17)23-10-7-5-4-6-8-10/h4-8,11-15,18H,9H2,1-3H3/t11?,12-,13-,14-,15-/m1/s1
InChIKey GMEPQVXWRXHFDN-XSISWNRUSA-N
Mol Weight 338.42 g/mol
Molecular Formula C17H22O5S
Exact Mass 338.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CQGaoPsCq8
Name Methyl 5.alpha.-hydroxy-3.alpha.,4.alpha.-isopropylidenedioxy-2.beta.-phenylthiocyclohexan-1.beta.-oate
CAS Registry Number 130177-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5S
InChI InChI=1S/C17H22O5S/c1-17(2)21-13-12(18)9-11(16(19)20-3)15(14(13)22-17)23-10-7-5-4-6-8-10/h4-8,11-15,18H,9H2,1-3H3/t11?,12-,13-,14-,15-/m1/s1
InChIKey GMEPQVXWRXHFDN-XSISWNRUSA-N
Molecular Weight 338.418 g/mol
SMILES O[C@@]1(CC([C@]([C@]2([C@@]1(OC(O2)(C)C)[H])[H])(Sc1ccccc1)[H])C(=O)OC)[H]
SPLASH splash10-0079-0609000000-14a993e0c702fae97c8b
Source of Spectrum F-46-3988-15
Synonyms Methyl (3aR,4R,7R,7aR)-7-hydroxy-2,2-dimethyl-4-(phenylsulfanyl)hexahydro-1,3-benzodioxole-5-carboxylate
Wiley ID 1333578