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(2R*,3S*,4S*)-2,3-(trans)-3,4-(cis)-2,3-bis[(-)-methoxycarbonyl]]-3,4-diphenyl-3,4-dihydro-2H-thiopyran

View entire compound with spectra: 1 MS (GC)

(2R*,3S*,4S*)-2,3-(trans)-3,4-(cis)-2,3-bis[(-)-methoxycarbonyl]]-3,4-diphenyl-3,4-dihydro-2H-thiopyran
SpectraBase Compound ID E3KarSbgCcR
InChI InChI=1S/C39H52O4S/c1-24(2)30-19-17-26(5)21-33(30)42-38(40)36-32(28-13-9-7-10-14-28)23-35(29-15-11-8-12-16-29)44-37(36)39(41)43-34-22-27(6)18-20-31(34)25(3)4/h7-16,23-27,30-34,36-37H,17-22H2,1-6H3/t26?,27?,30?,31?,32-,33?,34?,36+,37+/m0/s1
InChIKey CYGKXWZSJVJHBJ-LLGMXGOTSA-N
Mol Weight 616.9 g/mol
Molecular Formula C39H52O4S
Exact Mass 616.358631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ANRwjmUabx
Name (2R*,3S*,4S*)-2,3-(trans)-3,4-(cis)-2,3-bis[(-)-methoxycarbonyl]]-3,4-diphenyl-3,4-dihydro-2H-thiopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H52O4S
InChI InChI=1S/C39H52O4S/c1-24(2)30-19-17-26(5)21-33(30)42-38(40)36-32(28-13-9-7-10-14-28)23-35(29-15-11-8-12-16-29)44-37(36)39(41)43-34-22-27(6)18-20-31(34)25(3)4/h7-16,23-27,30-34,36-37H,17-22H2,1-6H3/t26?,27?,30?,31?,32-,33?,34?,36+,37+/m0/s1
InChIKey CYGKXWZSJVJHBJ-LLGMXGOTSA-N
Molecular Weight 616.901 g/mol
SMILES [C@]1([C@@](SC(=C[C@]1(c1ccccc1)[H])c1ccccc1)(C(OC1C(CCC(C1)C)C(C)C)=O)[H])(C(OC1C(CCC(C1)C)C(C)C)=O)[H]
SPLASH splash10-008i-9048200000-52605e4e701b95cbea6a
Source of Spectrum KC-1991-2283-4
Synonyms bis(2-isopropyl-5-methylcyclohexyl) (2S,3R,4R)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate Di-(-)-Menthyl (2S,3R,4R)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
Wiley ID 1411343