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(1S,2S,3S,6S,7S,8R,12S)-3,7-DIBENZYLOXY-6-(CYCLOHEXYLDIMETHYLSILOXY)-2,12-(ISOPROPYLIDENEDIOXY)-1,5,5-TRIMETHYL-9-METHYLENE-6-(3-OXOBUTYL)-BICYCL
SpectraBase Compound ID 1rirL91GcLk
InChI InChI=1S/C45H64O7Si/c1-31-25-26-36-44(7)37(31)40(49-30-34-21-15-11-16-22-34)45(28-27-32(2)46,52-53(8,9)35-23-17-12-18-24-35)42(3,4)39(47)38(41(44)51-43(5,6)50-36)48-29-33-19-13-10-14-20-33/h10-11,13-16,19-22,35-38,40-41H,1,12,17-18,23-30H2,2-9H3/t36-,37?,38+,40?,41+,44+,45+/m0/s1
InChIKey VNYXMGRUVFRMSH-UGYJEPCUSA-N
Mol Weight 745.1 g/mol
Molecular Formula C45H64O7Si
Exact Mass 744.442131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BswCg5GOWt
Name (1S,2S,3S,6S,7S,8R,12S)-3,7-DIBENZYLOXY-6-(CYCLOHEXYLDIMETHYLSILOXY)-2,12-(ISOPROPYLIDENEDIOXY)-1,5,5-TRIMETHYL-9-METHYLENE-6-(3-OXOBUTYL)-BICYCL
Compound Number 54A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H64O7Si
InChI InChI=1S/C45H64O7Si/c1-31-25-26-36-44(7)37(31)40(49-30-34-21-15-11-16-22-34)45(28-27-32(2)46,52-53(8,9)35-23-17-12-18-24-35)42(3,4)39(47)38(41(44)51-43(5,6)50-36)48-29-33-19-13-10-14-20-33/h10-11,13-16,19-22,35-38,40-41H,1,12,17-18,23-30H2,2-9H3/t36-,37?,38+,40?,41+,44+,45+/m0/s1
InChIKey VNYXMGRUVFRMSH-UGYJEPCUSA-N
Literature Reference Author T.MUKAIYAMA,I.SHIINA,H.IWADARE,M.SAITOH,T.NISHIMURA,N.OHKAWA ,H.SAKOH,K.NISHIMURA
Literature Reference Citation CHEM.EUR.J.,5,121(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990104)5:1<121::aid-chem121>3.3.co;2-f
Molecular Weight 745.084 g/mol
Solvent C6D6
Source File Reference UWRU9507