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(2'E,6'Z,10'Z)-[1'-(Isocopal-12-en-15-yl)-12'-[(t-butyldiphenylsilyl)oxy]-6',10'-dimethyldodeca-2',6',10'-trien-2'-yl]methanol
SpectraBase Compound ID Gv8676lZ5Id
InChI InChI=1S/C51H76O2Si/c1-39(20-17-21-40(2)33-37-53-54(48(4,5)6,43-24-13-11-14-25-43)44-26-15-12-16-27-44)22-18-23-42(38-52)29-30-45-41(3)28-31-47-50(45,9)36-32-46-49(7,8)34-19-35-51(46,47)10/h11-16,20,23-28,33,45-47,52H,17-19,21-22,29-32,34-38H2,1-10H3/b39-20-,40-33-,42-23+/t45-,46+,47+,50+,51+/m0/s1
InChIKey ASZWFFNKBUOULK-GBYLTDKVSA-N
Mol Weight 749.3 g/mol
Molecular Formula C51H76O2Si
Exact Mass 748.561458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bb5mezCBHLO
Name (2'E,6'Z,10'Z)-[1'-(Isocopal-12-en-15-yl)-12'-[(t-butyldiphenylsilyl)oxy]-6',10'-dimethyldodeca-2',6',10'-trien-2'-yl]methanol
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Formula C51H76O2Si
InChI InChI=1S/C51H76O2Si/c1-39(20-17-21-40(2)33-37-53-54(48(4,5)6,43-24-13-11-14-25-43)44-26-15-12-16-27-44)22-18-23-42(38-52)29-30-45-41(3)28-31-47-50(45,9)36-32-46-49(7,8)34-19-35-51(46,47)10/h11-16,20,23-28,33,45-47,52H,17-19,21-22,29-32,34-38H2,1-10H3/b39-20-,40-33-,42-23+/t45-,46+,47+,50+,51+/m0/s1
InChIKey ASZWFFNKBUOULK-GBYLTDKVSA-N
Molecular Weight 749.252 g/mol
SMILES OC\C(CC[C@@]1([C@@]2([C@]([C@]3([C@](C(CCC3)(C)C)([H])CC2)C)(CC=C1C)[H])C)[H])=C\CC\C(=C/CC\C(=C/CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C)C
SPLASH splash10-0002-0910000000-a555a2097c7fefa09dca
Source of Spectrum PS-54-116-29
Wiley ID 805195