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(2R,3S,6E)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-5-(phenylsulfonyl)dodeca-6,10-dien-3-ol
SpectraBase Compound ID 5wiLCIij6z7
InChI InChI=1S/C27H46O4SSi/c1-21(2)15-14-16-22(3)19-25(32(29,30)24-17-12-11-13-18-24)20-27(8,28)23(4)31-33(9,10)26(5,6)7/h11-13,15,17-19,23,25,28H,14,16,20H2,1-10H3/b22-19+/t23-,25?,27+/m1/s1
InChIKey ZMYYGCMUHBKBND-ZMLLGCKPSA-N
Mol Weight 494.8 g/mol
Molecular Formula C27H46O4SSi
Exact Mass 494.288608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KsyBNvZ2VZ
Name (2R,3S,6E)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-5-(phenylsulfonyl)dodeca-6,10-dien-3-ol
CAS Registry Number 128329-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O4SSi
InChI InChI=1S/C27H46O4SSi/c1-21(2)15-14-16-22(3)19-25(32(29,30)24-17-12-11-13-18-24)20-27(8,28)23(4)31-33(9,10)26(5,6)7/h11-13,15,17-19,23,25,28H,14,16,20H2,1-10H3/b22-19+/t23-,25?,27+/m1/s1
InChIKey ZMYYGCMUHBKBND-ZMLLGCKPSA-N
Molecular Weight 494.806 g/mol
SMILES O[C@@](CC(S(=O)(=O)c1ccccc1)\C=C\(CCC=C(C)C)C)([C@](O[Si](C(C)(C)C)(C)C)(C)[H])C
SPLASH splash10-0udi-4446900000-cbdbbaaf472e82203bc4
Source of Spectrum C-112-5286-32
Synonyms (2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-3-dodeca-6,10-dienol (2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-dodeca-6,10-dien-3-ol (2R,3S,6E)-5-besyl-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-dodeca-6,10-dien-3-ol
Wiley ID 1397896