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2-Isopropyl-2-(3',7',11'-trimethyl-13'-hydroxy-1'-benzyloxy-3',7',11'-tridecatrienyl)-1,3-dithiane
SpectraBase Compound ID 2FRRQkqT4ld
InChI InChI=1S/C30H46O2S2/c1-24(2)30(33-20-11-21-34-30)29(32-23-28-16-7-6-8-17-28)22-27(5)15-10-13-25(3)12-9-14-26(4)18-19-31/h6-8,12,15-18,24,29,31H,9-11,13-14,19-23H2,1-5H3/b25-12+,26-18+,27-15+
InChIKey GFQVSIMWFQITRX-ACTAKIIWSA-N
Mol Weight 502.8 g/mol
Molecular Formula C30H46O2S2
Exact Mass 502.293923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gtw8vOMUn2x
Name 2-Isopropyl-2-(3',7',11'-trimethyl-13'-hydroxy-1'-benzyloxy-3',7',11'-tridecatrienyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46O2S2
InChI InChI=1S/C30H46O2S2/c1-24(2)30(33-20-11-21-34-30)29(32-23-28-16-7-6-8-17-28)22-27(5)15-10-13-25(3)12-9-14-26(4)18-19-31/h6-8,12,15-18,24,29,31H,9-11,13-14,19-23H2,1-5H3/b25-12+,26-18+,27-15+
InChIKey GFQVSIMWFQITRX-ACTAKIIWSA-N
Molecular Weight 502.816 g/mol
SMILES OC\C=C\(CC\C=C\(CC\C=C\(CC(C1(SCCCS1)C(C)C)OCc1ccccc1)C)C)C
SPLASH splash10-03di-3900000000-3ad892005e5b5fc2faaf
Source of Spectrum SK-21-1423-9
Synonyms 2-Isopropyl-2-[3',7',11'-trimethyl-1'-benzyloxy-13'-hydroxy-3',7',11'-tridecatrienyl]-1,3-dithiacyclohexane (2E,6E,10E)-13-(benzyloxy)-13-(2-isopropyl-1,3-dithian-2-yl)-3,7,11-trimethyl-2,6,10-tridecatrien-1-ol
Wiley ID 851828