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(S)-Methyl 4-benzyloxy-2-methoxy-6-{5-[2-(2-hydroxypropyl)-1,3-dithiane-2-yl]pentyl}benzoate
SpectraBase Compound ID 7dSSMe23Cyn
InChI InChI=1S/C28H38O5S2/c1-21(29)19-28(34-15-10-16-35-28)14-9-5-8-13-23-17-24(33-20-22-11-6-4-7-12-22)18-25(31-2)26(23)27(30)32-3/h4,6-7,11-12,17-18,21,29H,5,8-10,13-16,19-20H2,1-3H3/t21-/m0/s1
InChIKey KRPXJYIIIQXOKC-NRFANRHFSA-N
Mol Weight 518.7 g/mol
Molecular Formula C28H38O5S2
Exact Mass 518.216067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hXNUhjZNfv
Name (S)-Methyl 4-benzyloxy-2-methoxy-6-{5-[2-(2-hydroxypropyl)-1,3-dithiane-2-yl]pentyl}benzoate
Alternate Name(s) Methyl 4-(benzyloxy)-2-(5-{2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl}pentyl)-6-methoxybenzoate 2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-4-phenylmethoxybenzoic acid methyl ester Methyl 2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-4-phenylmethoxybenzoate Methyl 4-benzyloxy-2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-benzoate Methyl 2-methoxy-6-[5-[2-[(2S)-2-oxidanylpropyl]-1,3-dithian-2-yl]pentyl]-4-phenylmethoxy-benzoate
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Formula C28H38O5S2
InChI InChI=1S/C28H38O5S2/c1-21(29)19-28(34-15-10-16-35-28)14-9-5-8-13-23-17-24(33-20-22-11-6-4-7-12-22)18-25(31-2)26(23)27(30)32-3/h4,6-7,11-12,17-18,21,29H,5,8-10,13-16,19-20H2,1-3H3/t21-/m0/s1
InChIKey KRPXJYIIIQXOKC-NRFANRHFSA-N
Molecular Weight 518.727 g/mol
SMILES O[C@](CC1(CCCCCc2c(c(cc(c2)OCc2ccccc2)OC)C(=O)OC)SCCCS1)(C)[H]
SPLASH splash10-03e9-0390000000-dd9e48fd6cf97b05819a
Source of Spectrum KC-0-2620-9
Wiley ID 786711