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(2,6-dimethylphenyl) (2S,3R,4S)-3-hydroxy-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-7-phenyl-heptanoate
SpectraBase Compound ID 3J8sEzqOC5L
InChI InChI=1S/C30H36O4S/c1-21-11-9-12-22(2)27(21)34-29(32)23(3)28(31)30(4,20-10-15-24-13-7-6-8-14-24)35-26-18-16-25(33-5)17-19-26/h6-9,11-14,16-19,23,28,31H,10,15,20H2,1-5H3/t23-,28+,30-/m0/s1
InChIKey HBYZEVGWUXEVNL-ZSNHWWIQSA-N
Mol Weight 492.7 g/mol
Molecular Formula C30H36O4S
Exact Mass 492.233431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExsPQTYCVoG
Name (2,6-dimethylphenyl) (2S,3R,4S)-3-hydroxy-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-7-phenyl-heptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36O4S
InChI InChI=1S/C30H36O4S/c1-21-11-9-12-22(2)27(21)34-29(32)23(3)28(31)30(4,20-10-15-24-13-7-6-8-14-24)35-26-18-16-25(33-5)17-19-26/h6-9,11-14,16-19,23,28,31H,10,15,20H2,1-5H3/t23-,28+,30-/m0/s1
InChIKey HBYZEVGWUXEVNL-ZSNHWWIQSA-N
Molecular Weight 492.674 g/mol
SMILES O[C@@]([C@@](Sc1ccc(cc1)OC)(CCCc1ccccc1)C)([C@@](C(Oc1c(cccc1C)C)=O)(C)[H])[H]
SPLASH splash10-0006-5900000000-3dec447cf25697b16fc6
Source of Spectrum KC-0-372-38
Synonyms (2,6-dimethylphenyl) (2S,3R,4S)-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-3-oxidanyl-7-phenyl-heptanoate (2S,3R,4S)-3-hydroxy-4-[(4-methoxyphenyl)thio]-2,4-dimethyl-7-phenyl-enanthic acid (2,6-dimethylphenyl) ester (2S,3R,4S)-3-hydroxy-4-[(4-methoxyphenyl)thio]-2,4-dimethyl-7-phenylheptanoic acid (2,6-dimethylphenyl) ester
Wiley ID 785038