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3-(7-Bromo-1,1-dimethylheptyl)-6-methyl-6-[3-(tert-butyldimethylsiloxy)propynyl]-9,9-dimethoxy-6a,7,8,9,10,10a-hexahydrobenzo[b]chroman-1-ol

View entire compound with spectra: 1 MS (GC)

3-(7-Bromo-1,1-dimethylheptyl)-6-methyl-6-[3-(tert-butyldimethylsiloxy)propynyl]-9,9-dimethoxy-6a,7,8,9,10,10a-hexahydrobenzo[b]chroman-1-ol
SpectraBase Compound ID 889bjJV2Lmv
InChI InChI=1S/C34H55BrO5Si/c1-31(2,3)41(9,10)39-21-15-18-33(6)27-16-19-34(37-7,38-8)24-26(27)30-28(36)22-25(23-29(30)40-33)32(4,5)17-13-11-12-14-20-35/h22-23,26-27,36H,11-14,16-17,19-21,24H2,1-10H3/t26-,27?,33+/m1/s1
InChIKey LZBGJBGXIVYVHM-JJFKLLKUSA-N
Mol Weight 651.8 g/mol
Molecular Formula C34H55BrO5Si
Exact Mass 650.300214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 970sYXdGI3c
Name 3-(7-Bromo-1,1-dimethylheptyl)-6-methyl-6-[3-(tert-butyldimethylsiloxy)propynyl]-9,9-dimethoxy-6a,7,8,9,10,10a-hexahydrobenzo[b]chroman-1-ol
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Formula C34H55BrO5Si
InChI InChI=1S/C34H55BrO5Si/c1-31(2,3)41(9,10)39-21-15-18-33(6)27-16-19-34(37-7,38-8)24-26(27)30-28(36)22-25(23-29(30)40-33)32(4,5)17-13-11-12-14-20-35/h22-23,26-27,36H,11-14,16-17,19-21,24H2,1-10H3/t26-,27?,33+/m1/s1
InChIKey LZBGJBGXIVYVHM-JJFKLLKUSA-N
Molecular Weight 651.798 g/mol
SMILES Oc1c2[C@]3(C(CCC(C3)(OC)OC)[C@@](Oc2cc(c1)C(CCCCCCBr)(C)C)(C#CCO[Si](C(C)(C)C)(C)C)C)[H]
SPLASH splash10-00di-9312423000-4e371275dc9c9c74fa85
Source of Spectrum J-68-61-13
Wiley ID 1536202