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(3S,5R,6R,3'S)-5,3'-bis{O-Trimethylsilyl)-3,6-epoxy-5,6-dihydro-.beta.,.beta.-carotene-5,3'-diol
SpectraBase Compound ID 1gv70dgaIrI
InChI InChI=1S/C46H72O3Si2/c1-35(23-19-25-37(3)27-28-42-39(5)31-40(32-43(42,6)7)48-50(11,12)13)21-17-18-22-36(2)24-20-26-38(4)29-30-46-44(8,9)33-41(47-46)34-45(46,10)49-51(14,15)16/h17-30,40-41H,31-34H2,1-16H3/b18-17+,23-19+,24-20+,28-27+,30-29+,35-21+,36-22+,37-25+,38-26+/t40-,41-,45+,46+/m0/s1
InChIKey WDYOYMRRYQEVLC-GNNDMPMYSA-N
Mol Weight 729.2 g/mol
Molecular Formula C46H72O3Si2
Exact Mass 728.501999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RMoItlTYMY
Name (3S,5R,6R,3'S)-5,3'-bis{O-Trimethylsilyl)-3,6-epoxy-5,6-dihydro-.beta.,.beta.-carotene-5,3'-diol
Alternate Name(s) Trimethyl{[(1R,2R,4S)-2,6,6-trimethyl-1-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-{(4S)-2,6,6-trimethyl-4-[(trimethylsilyl)oxy]-1-cyclohexen-1-yl}-1,3,5,7,9,11,13,15,17-octadecanonaenyl)-7-oxabicyclo[2.2.1]hept-2-yl]oxy}silane
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Formula C46H72O3Si2
InChI InChI=1S/C46H72O3Si2/c1-35(23-19-25-37(3)27-28-42-39(5)31-40(32-43(42,6)7)48-50(11,12)13)21-17-18-22-36(2)24-20-26-38(4)29-30-46-44(8,9)33-41(47-46)34-45(46,10)49-51(14,15)16/h17-30,40-41H,31-34H2,1-16H3/b18-17+,23-19+,24-20+,28-27+,30-29+,35-21+,36-22+,37-25+,38-26+/t40-,41-,45+,46+/m0/s1
InChIKey WDYOYMRRYQEVLC-GNNDMPMYSA-N
Molecular Weight 729.249 g/mol
SMILES [C@@]12([C@@](C[C@@](O2)(CC1(C)C)[H])(O[Si](C)(C)C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(C[C@@](CC1(C)C)(O[Si](C)(C)C)[H])C)C)C)C)C
SPLASH splash10-004i-0000030900-df8a97dc66c33c2d3e8e
Source of Spectrum H-76-955-1
Wiley ID 1415876