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

View entire compound with spectra: 1 MS (GC)

(2S)-2-[(2R,4aR,5R,7R)-7-formyloxy-4a,8-dimethyl-5-(phenylthio)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoic acid methyl ester
SpectraBase Compound ID FYJbKZRxyRJ
InChI InChI=1S/C23H30O4S/c1-15(22(25)26-4)17-10-11-23(3)19(12-17)16(2)20(27-14-24)13-21(23)28-18-8-6-5-7-9-18/h5-9,14-15,17,20-21H,10-13H2,1-4H3/t15-,17+,20+,21+,23+/m0/s1
InChIKey QDTFADAWSNMMCB-JBWWXIPTSA-N
Mol Weight 402.55 g/mol
Molecular Formula C23H30O4S
Exact Mass 402.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoNYNP0HHHW
Name (2S)-2-[(2R,4aR,5R,7R)-7-formyloxy-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 C23H30O4S
InChI InChI=1S/C23H30O4S/c1-15(22(25)26-4)17-10-11-23(3)19(12-17)16(2)20(27-14-24)13-21(23)28-18-8-6-5-7-9-18/h5-9,14-15,17,20-21H,10-13H2,1-4H3/t15-,17+,20+,21+,23+/m0/s1
InChIKey QDTFADAWSNMMCB-JBWWXIPTSA-N
Molecular Weight 402.549 g/mol
SMILES C=12[C@]([C@](Sc3ccccc3)(C[C@](C1C)(OC=O)[H])[H])(CC[C@](C2)([C@@](C(=O)OC)(C)[H])[H])C
SPLASH splash10-0a4j-0980100000-49adaa273543059cfdd5
Source of Spectrum F-68-4426-5
Synonyms (2S)-2-[(2R,4aR,5R,7R)-7-formyloxy-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)-7-formyloxy-4a,8-dimethyl-5-phenylsulfanyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoate Methyl (2S)-2-[(2R,4aR,5R,7R)-7-methanoyloxy-4a,8-dimethyl-5-phenylsulfanyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoate
Wiley ID 1572610