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(2R,3S,4R)-1-Benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-methylphenylsulfonyl)prolinol

View entire compound with spectra: 1 MS (GC)

(2R,3S,4R)-1-Benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-methylphenylsulfonyl)prolinol
SpectraBase Compound ID JR7DqYTe90y
InChI InChI=1S/C31H37NO5S/c1-22-12-15-26(16-13-22)38(34,35)30-20-32(19-23-8-4-3-5-9-23)27(21-33)31(30)24-14-17-28(36-2)29(18-24)37-25-10-6-7-11-25/h3-5,8-9,12-18,25,27,30-31,33H,6-7,10-11,19-21H2,1-2H3/t27-,30-,31-/m0/s1
InChIKey WROCRPRMWXDRGK-NAYUSWPISA-N
Mol Weight 535.7 g/mol
Molecular Formula C31H37NO5S
Exact Mass 535.239244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ti0ZRGuA2m
Name (2R,3S,4R)-1-Benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-methylphenylsulfonyl)prolinol
Alternate Name(s) 1-Benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-methylphenylsulfonyl)prolinol {(2R,3S,4R)-1-benzyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4-[(4-methylphenyl)sulfonyl]pyrrolidinyl}methanol
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Formula C31H37NO5S
InChI InChI=1S/C31H37NO5S/c1-22-12-15-26(16-13-22)38(34,35)30-20-32(19-23-8-4-3-5-9-23)27(21-33)31(30)24-14-17-28(36-2)29(18-24)37-25-10-6-7-11-25/h3-5,8-9,12-18,25,27,30-31,33H,6-7,10-11,19-21H2,1-2H3/t27-,30-,31-/m0/s1
InChIKey WROCRPRMWXDRGK-NAYUSWPISA-N
Molecular Weight 535.699 g/mol
SMILES OC[C@]1([C@@]([C@@](S(c2ccc(cc2)C)(=O)=O)(CN1Cc1ccccc1)[H])(c1cc(OC2CCCC2)c(cc1)OC)[H])[H]
SPLASH splash10-0006-9001000000-a505ff68847888b35d7a
Source of Spectrum C5-2004-844-5
Wiley ID 1616880