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1,7-Dioxaspiro[5.5]undecane, benzoic acid deriv.
SpectraBase Compound ID AEgEtD3YeNc
InChI InChI=1S/C49H66O6Si/c1-34(19-18-20-37(4)44-32-46(51-10)38(5)30-45(44)47(50)52-11)29-35(2)25-26-40-31-41(33-49(54-40)28-27-36(3)39(6)53-49)55-56(48(7,8)9,42-21-14-12-15-22-42)43-23-16-13-17-24-43/h12-25,30,32,34,36,39-41H,26-29,31,33H2,1-11H3/b19-18+,35-25+,37-20+/t34-,36-,39+,40+,41-,49-/m0/s1
InChIKey UJACVDOAKKKONN-KAUYZBHOSA-N
Mol Weight 779.1 g/mol
Molecular Formula C49H66O6Si
Exact Mass 778.462866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJKk3NlzRRj
Name 1,7-Dioxaspiro[5.5]undecane, benzoic acid deriv.
CAS Registry Number 101212-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H66O6Si
InChI InChI=1S/C49H66O6Si/c1-34(19-18-20-37(4)44-32-46(51-10)38(5)30-45(44)47(50)52-11)29-35(2)25-26-40-31-41(33-49(54-40)28-27-36(3)39(6)53-49)55-56(48(7,8)9,42-21-14-12-15-22-42)43-23-16-13-17-24-43/h12-25,30,32,34,36,39-41H,26-29,31,33H2,1-11H3/b19-18+,35-25+,37-20+/t34-,36-,39+,40+,41-,49-/m0/s1
InChIKey UJACVDOAKKKONN-KAUYZBHOSA-N
Molecular Weight 779.146 g/mol
SMILES [C@@]12(O[C@](C)([C@](CC2)(C)[H])[H])O[C@](C\C=C\(C[C@](\C=C\C=C\(c2c(cc(c(c2)OC)C)C(=O)OC)C)(C)[H])C)(C[C@](O[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)(C1)[H])[H]
SPLASH splash10-0006-9210000000-51750288161d481980d8
Source of Spectrum KC-1987-1632-55
Synonyms Benzoic acid, 2-[9-[4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-8,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1,5,7-trimethyl-1,3,7-nonatrienyl]-4-methoxy-5-methyl-, methyl ester, [2R-[2.alpha.(1E,3E,5R*,7E),4.alpha.,6.beta.(8R*,9S*)]]- Methyl 2-[(1E,3E,5R,7E)-9-((2R,4S,6R,8R,9S)-4-{[tert-butyl(diphenyl)silyl]oxy}-8,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl)-1,5,7-trimethyl-1,3,7-nonatrienyl]-4-methoxy-5-methylbenzoate Methyl 2-[(6'R)-(10-diphenyl-t-butylsiloxy-2,3-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl)-6',8'-dimethyldecan-2',4',8'-trien-2'-yl]-4-methoxy-5-methylbenzoate
Wiley ID 1416865