2-Isopropyl-2-[3',7',11'-trimethyl-1'-benzyloxy-5'-(phenylsulfonyl)-13'-hydroxy-3',7',11'-tridecatrienyl]-1,3-dithiacyclohexane

SpectraBase Compound ID	85N38ccd9Xq
InChI	InChI=1S/C36H50O4S3/c1-28(2)36(41-22-13-23-42-36)35(40-27-32-16-8-6-9-17-32)26-31(5)25-34(43(38,39)33-18-10-7-11-19-33)24-30(4)15-12-14-29(3)20-21-37/h6-11,15-20,25,28,34-35,37H,12-14,21-24,26-27H2,1-5H3/b29-20+,30-15+,31-25+
InChIKey	ALVCJCRRPSLAFR-HGLRRQQRSA-N Google Search
Mol Weight	643.0 g/mol
Molecular Formula	C36H50O4S3
Exact Mass	642.287124 g/mol

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SpectraBase Spectrum ID	6sTEiGhr4PA
Name	2-Isopropyl-2-[3',7',11'-trimethyl-1'-benzyloxy-5'-(phenylsulfonyl)-13'-hydroxy-3',7',11'-tridecatrienyl]-1,3-dithiacyclohexane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H50O4S3
InChI	InChI=1S/C36H50O4S3/c1-28(2)36(41-22-13-23-42-36)35(40-27-32-16-8-6-9-17-32)26-31(5)25-34(43(38,39)33-18-10-7-11-19-33)24-30(4)15-12-14-29(3)20-21-37/h6-11,15-20,25,28,34-35,37H,12-14,21-24,26-27H2,1-5H3/b29-20+,30-15+,31-25+
InChIKey	ALVCJCRRPSLAFR-HGLRRQQRSA-N
Molecular Weight	642.972 g/mol
SMILES	OC\C=C\(CC\C=C\(CC(S(=O)(=O)c1ccccc1)\C=C\(CC(C1(SCCCS1)C(C)C)OCc1ccccc1)C)C)C
SPLASH	splash10-03dl-5900000000-5e1e71da72d7d0000b57
Source of Spectrum	SK-21-1423-8
Synonyms	2-Isopropyl-2-(3',7',11'-trimethyl-5'-benzenesulfony-13'-hydroxy-1'-benzyloxy-3',7',11'-tridecatrienyl)-1,3-dithiane (2E,6E,10E)-9-(benzenesulfonyl)-3,7,11-trimethyl-13-phenylmethoxy-13-(2-propan-2-yl-1,3-dithian-2-yl)-1-trideca-2,6,10-trienol (2E,6E,10E)-9-(benzenesulfonyl)-3,7,11-trimethyl-13-phenylmethoxy-13-(2-propan-2-yl-1,3-dithian-2-yl)trideca-2,6,10-trien-1-ol (2E,6E,10E)-9-(benzenesulfonyl)-13-benzyloxy-13-(2-isopropyl-1,3-dithian-2-yl)-3,7,11-trimethyl-trideca-2,6,10-trien-1-ol (2E,6E,10E)-3,7,11-trimethyl-13-phenylmethoxy-9-(phenylsulfonyl)-13-(2-propan-2-yl-1,3-dithian-2-yl)trideca-2,6,10-trien-1-ol
Wiley ID	851829