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(1R*,8S*)-(+ )-1-(acetoxymethyl)-8-(bromomethyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecahydrocyclooctacyclodecene
SpectraBase Compound ID GSMRJcXARbl
InChI InChI=1S/C20H33BrO2/c1-16(22)23-15-19-11-7-4-6-10-18-13-17(14-21)9-5-2-3-8-12-20(18)19/h17,19H,2-15H2,1H3/b20-18+/t17-,19-/m0/s1
InChIKey CFRURCLXEWHWID-ISYIFQNYSA-N
Mol Weight 385.4 g/mol
Molecular Formula C20H33BrO2
Exact Mass 384.166393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHrjmwib7Fd
Name (1R*,8S*)-(+ )-1-(acetoxymethyl)-8-(bromomethyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecahydrocyclooctacyclodecene
CAS Registry Number 130760-51-9
Comments Less than 3 mono-isotopic peaks
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Formula C20H33BrO2
InChI InChI=1S/C20H33BrO2/c1-16(22)23-15-19-11-7-4-6-10-18-13-17(14-21)9-5-2-3-8-12-20(18)19/h17,19H,2-15H2,1H3/b20-18+/t17-,19-/m0/s1
InChIKey CFRURCLXEWHWID-ISYIFQNYSA-N
Molecular Weight 385.386 g/mol
SMILES [C@@]1(\C2=C/(CCCCC1)C[C@](CCCCCC2)(CBr)[H])(COC(=O)C)[H]
SPLASH splash10-0002-0090000000-ea9fcacd88adc7b34c7f
Source of Spectrum K-124-930-11
Synonyms (1R*,8S*)-(+-)-1-(Acetoxymethyl)-8-(bromomethyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecahydrocyclooctacyclodecene [(1R,8S)-8-(bromomethyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecahydrocycloocta[a]cyclodecen-1-yl]methyl acetate
Wiley ID 1361485