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N-{(3'aS,4'R,6'aR)-4'-[4-((S)-1'-(t-butyldimethylsilyl-oxyhexyl)phenyl]-1',6'a',6',3'a-tetrahydro-5,5-dimethylspiro[1,3-dioxane-2,2'-pentalen])-5'-ol
SpectraBase Compound ID FvmGuuwIY6m
InChI InChI=1S/C31H52O4Si/c1-9-10-11-12-27(35-36(7,8)29(2,3)4)22-13-15-23(16-14-22)28-25-19-31(18-24(25)17-26(28)32)33-20-30(5,6)21-34-31/h13-16,24-28,32H,9-12,17-21H2,1-8H3/t24-,25+,26-,27+,28-/m1/s1
InChIKey LNKZBJUNTOFHQR-YTZCDUBRSA-N
Mol Weight 516.8 g/mol
Molecular Formula C31H52O4Si
Exact Mass 516.363487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDfNfPMUD29
Name N-{(3'aS,4'R,6'aR)-4'-[4-((S)-1'-(t-butyldimethylsilyl-oxyhexyl)phenyl]-1',6'a',6',3'a-tetrahydro-5,5-dimethylspiro[1,3-dioxane-2,2'-pentalen])-5'-ol
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Formula C31H52O4Si
InChI InChI=1S/C31H52O4Si/c1-9-10-11-12-27(35-36(7,8)29(2,3)4)22-13-15-23(16-14-22)28-25-19-31(18-24(25)17-26(28)32)33-20-30(5,6)21-34-31/h13-16,24-28,32H,9-12,17-21H2,1-8H3/t24-,25+,26-,27+,28-/m1/s1
InChIKey LNKZBJUNTOFHQR-YTZCDUBRSA-N
Molecular Weight 516.838 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@](C1)(CC1(C2)OCC(CO1)(C)C)[H])[H])(c1ccc([C@@](O[Si](C(C)(C)C)(C)C)(CCCCC)[H])cc1)[H])[H]
SPLASH splash10-0089-0094700000-4ec19e2e97c96db538d8
Source of Spectrum C-124-4327-21
Synonyms (1'S,2'R,3'aR,6'aS)-1'-[4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5,5-dimethyl-2'-spiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]ol (1'S,2'R,3'aR,6'aS)-1'-[4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
Wiley ID 1701026