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(2S)-2-[(2R,4aR,5R,7R)-7-hydroxy-4a,8-dimethyl-5-(phenylthio)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoic acid methyl ester

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(2S)-2-[(2R,4aR,5R,7R)-7-hydroxy-4a,8-dimethyl-5-(phenylthio)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoic acid methyl ester
SpectraBase Compound ID BksKDTnofZj
InChI InChI=1S/C22H30O3S/c1-14(21(24)25-4)16-10-11-22(3)18(12-16)15(2)19(23)13-20(22)26-17-8-6-5-7-9-17/h5-9,14,16,19-20,23H,10-13H2,1-4H3/t14-,16+,19+,20+,22+/m0/s1
InChIKey HSQWGPMIPCZARO-FRLAPBMMSA-N
Mol Weight 374.54 g/mol
Molecular Formula C22H30O3S
Exact Mass 374.191566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkZ9A8u1u61
Name (2S)-2-[(2R,4aR,5R,7R)-7-hydroxy-4a,8-dimethyl-5-(phenylthio)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoic acid methyl ester
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Formula C22H30O3S
InChI InChI=1S/C22H30O3S/c1-14(21(24)25-4)16-10-11-22(3)18(12-16)15(2)19(23)13-20(22)26-17-8-6-5-7-9-17/h5-9,14,16,19-20,23H,10-13H2,1-4H3/t14-,16+,19+,20+,22+/m0/s1
InChIKey HSQWGPMIPCZARO-FRLAPBMMSA-N
Molecular Weight 374.539 g/mol
SMILES O[C@]1(C(=C2[C@]([C@](Sc3ccccc3)(C1)[H])(CC[C@](C2)([C@@](C(=O)OC)(C)[H])[H])C)C)[H]
SPLASH splash10-06vi-0962000000-ea54aa4e3042830455e3
Source of Spectrum F-68-4426-6
Synonyms (2S)-2-[(2R,4aR,5R,7R)-7-hydroxy-4a,8-dimethyl-5-(phenylthio)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propionic acid methyl ester Methyl (2S)-2-[(2R,4aR,5R,7R)-4a,8-dimethyl-7-oxidanyl-5-phenylsulfanyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoate Methyl (2S)-2-[(2R,4aR,5R,7R)-7-hydroxy-4a,8-dimethyl-5-phenylsulfanyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoate
Wiley ID 1572609