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erythro-14,15-O-isopropylidene-1-(hydroxymethyl)-14-hydroxy-6-(phenylthio)-4,8,12-trimethylcyclotetradeca-(E,E,E)-3,7,11-triene

View entire compound with spectra: 1 MS (GC)

erythro-14,15-O-isopropylidene-1-(hydroxymethyl)-14-hydroxy-6-(phenylthio)-4,8,12-trimethylcyclotetradeca-(E,E,E)-3,7,11-triene
SpectraBase Compound ID IDYxhKIhuyr
InChI InChI=1S/C27H38O2S/c1-20-10-9-11-21(2)18-26-23(19-28-27(4,5)29-26)15-14-22(3)17-25(16-20)30-24-12-7-6-8-13-24/h6-8,11-14,16,23,25-26H,9-10,15,17-19H2,1-5H3/b20-16-,21-11-,22-14+
InChIKey OHUYXQLRYXRWOV-PAHWRNOKSA-N
Mol Weight 426.7 g/mol
Molecular Formula C27H38O2S
Exact Mass 426.259252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0UG5JRfNJc
Name erythro-14,15-O-isopropylidene-1-(hydroxymethyl)-14-hydroxy-6-(phenylthio)-4,8,12-trimethylcyclotetradeca-(E,E,E)-3,7,11-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O2S
InChI InChI=1S/C27H38O2S/c1-20-10-9-11-21(2)18-26-23(19-28-27(4,5)29-26)15-14-22(3)17-25(16-20)30-24-12-7-6-8-13-24/h6-8,11-14,16,23,25-26H,9-10,15,17-19H2,1-5H3/b20-16-,21-11-,22-14+
InChIKey OHUYXQLRYXRWOV-PAHWRNOKSA-N
Molecular Weight 426.659 g/mol
SMILES C1(OC2C(CO1)C\C=C\(CC(\C=C/(CC\C=C/(C2)C)C)Sc1ccccc1)C)(C)C
SPLASH splash10-0a5c-9343200000-1a9bd7f172703e77b6fd
Source of Spectrum J-50-3773-23
Synonyms 2,2,7,11,15-pentamethyl-4a,5,8,9,12,13,16,16a-octahydro-4H-cyclotetradeca[d][1,3]dioxin-9-yl phenyl sulfide 2,2,7,11,15-pentamethyl-9-(phenylsulfanyl)-4a,5,8,9,12,13,16,16a-octahydro-4H-cyclotetradeca[d][1,3]dioxin
Wiley ID 1380080