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erythro-9,14-dihydroxy-10-(1,2-dihydroxy-2-methylpropyl)-1-(phenylthio)-3,7,13-trimethyltetradeca-(E,E,E)-2,6,12-triene

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erythro-9,14-dihydroxy-10-(1,2-dihydroxy-2-methylpropyl)-1-(phenylthio)-3,7,13-trimethyltetradeca-(E,E,E)-2,6,12-triene
SpectraBase Compound ID DriY8hsV1Hb
InChI InChI=1S/C27H42O4S/c1-20(16-17-32-23-12-7-6-8-13-23)10-9-11-21(2)18-25(29)24(15-14-22(3)19-28)26(30)27(4,5)31/h6-8,11-14,16,24-26,28-31H,9-10,15,17-19H2,1-5H3/b20-16+,21-11+,22-14+
InChIKey RAZHVWPHTLGRBZ-FHBGZYRWSA-N
Mol Weight 462.7 g/mol
Molecular Formula C27H42O4S
Exact Mass 462.280381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bOjUNY7Wfl
Name Erythro-9,14-dihydroxy-10-(1,2-dihydroxy-2-methylpropyl)-1-(phenylthio)-3,7,13-trimethyltetradeca-(E,E,E)-2,6,12-triene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.280381002 u
Formula C27H42O4S
InChI InChI=1S/C27H42O4S/c1-20(16-17-32-23-12-7-6-8-13-23)10-9-11-21(2)18-25(29)24(15-14-22(3)19-28)26(30)27(4,5)31/h6-8,11-14,16,24-26,28-31H,9-10,15,17-19H2,1-5H3/b20-16+,21-11+,22-14+
InChIKey RAZHVWPHTLGRBZ-FHBGZYRWSA-N
Molecular Weight 462.689 g/mol
SMILES C(C(C(O)(C)C)O)(C(C\C(=C\CC\C(=C\CSC=1C=CC=CC1)C)C)O)C\C=C\(CO)C