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1-Allyloxy-3-(7-bromo-1,1-dimethylheptyl)-6-methyl-6-[3-(tert-butyldimethylsiloxy)propynyl]-6a,7,8,9,10,10a-hexahydrobenzo[b]chroman-9-one

View entire compound with spectra: 2 MS (GC)

1-Allyloxy-3-(7-bromo-1,1-dimethylheptyl)-6-methyl-6-[3-(tert-butyldimethylsiloxy)propynyl]-6a,7,8,9,10,10a-hexahydrobenzo[b]chroman-9-one
SpectraBase Compound ID 1nF5uAZhiaS
InChI InChI=1S/C35H53BrO4Si/c1-10-21-38-30-23-26(34(5,6)18-13-11-12-14-20-36)24-31-32(30)28-25-27(37)16-17-29(28)35(7,40-31)19-15-22-39-41(8,9)33(2,3)4/h10,23-24,28-29H,1,11-14,16-18,20-22,25H2,2-9H3/t28-,29-,35+/m1/s1
InChIKey SBIHZLNVLVCWMO-KPNDNRKWSA-N
Mol Weight 645.8 g/mol
Molecular Formula C35H53BrO4Si
Exact Mass 644.28965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHjRg4N84tm
Name 1-Allyloxy-3-(7-bromo-1,1-dimethylheptyl)-6-methyl-6-[3-(tert-butyldimethylsiloxy)propynyl]-6a,7,8,9,10,10a-hexahydrobenzo[b]chroman-9-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H53BrO4Si
InChI InChI=1S/C35H53BrO4Si/c1-10-21-38-30-23-26(34(5,6)18-13-11-12-14-20-36)24-31-32(30)28-25-27(37)16-17-29(28)35(7,40-31)19-15-22-39-41(8,9)33(2,3)4/h10,23-24,28-29H,1,11-14,16-18,20-22,25H2,2-9H3/t28-,29-,35+/m1/s1
InChIKey SBIHZLNVLVCWMO-KPNDNRKWSA-N
Molecular Weight 645.794 g/mol
SMILES c12[C@]3([C@@](CCC(C3)=O)([C@@](Oc1cc(cc2OCC=C)C(CCCCCCBr)(C)C)(C#CCO[Si](C(C)(C)C)(C)C)C)[H])[H]
SPLASH splash10-004i-9100002000-b37f1cefaf331c115d33
Source of Spectrum J-68-60-11
Synonyms (6R,6aR,10aR)-1-allyloxy-3-(7-bromo-1,1-dimethyl-heptyl)-6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-methyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one (6R,6aR,10aR)-3-(8-bromo-2-methyloctan-2-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-methyl-1-prop-2-enoxy-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one (6R,6aR,10aR)-3-(8-bromo-2-methyloctan-2-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-methyl-1-prop-2-enoxy-7,8,10,10a-tetrahydro-6aH-benzo[c][1]benzopyran-9-one (6R,6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-methyl-1-prop-2-enoxy-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
Wiley ID 1536204