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(1S,2S,3S,6S,7S,8R,12S)-3,7-DIBENZYLOXY-6-(3-BUTENYL)-6-(DICYCLOHEXYLMETHYLSILOXY)-2,12-(ISOPROPYLIDENEDIOXY)-1,5,5-TRIMETHYL-9-METHYLENEBICYCLO-
SpectraBase Compound ID BJ3gfuZJBOD
InChI InChI=1S/C50H72O6Si/c1-9-10-33-50(56-57(8,39-27-19-13-20-28-39)40-29-21-14-22-30-40)45(53-35-38-25-17-12-18-26-38)42-36(2)31-32-41-49(42,7)46(55-48(5,6)54-41)43(44(51)47(50,3)4)52-34-37-23-15-11-16-24-37/h9,11-12,15-18,23-26,39-43,45-46H,1-2,10,13-14,19-22,27-35H2,3-8H3/t41-,42?,43+,45?,46+,49+,50+/m0/s1
InChIKey DFGYFPWTEMUTGD-YDXDJKNESA-N
Mol Weight 797.2 g/mol
Molecular Formula C50H72O6Si
Exact Mass 796.509817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bm4KhehGhi9
Name (1S,2S,3S,6S,7S,8R,12S)-3,7-DIBENZYLOXY-6-(3-BUTENYL)-6-(DICYCLOHEXYLMETHYLSILOXY)-2,12-(ISOPROPYLIDENEDIOXY)-1,5,5-TRIMETHYL-9-METHYLENEBICYCLO-
Compound Number 50B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H72O6Si
InChI InChI=1S/C50H72O6Si/c1-9-10-33-50(56-57(8,39-27-19-13-20-28-39)40-29-21-14-22-30-40)45(53-35-38-25-17-12-18-26-38)42-36(2)31-32-41-49(42,7)46(55-48(5,6)54-41)43(44(51)47(50,3)4)52-34-37-23-15-11-16-24-37/h9,11-12,15-18,23-26,39-43,45-46H,1-2,10,13-14,19-22,27-35H2,3-8H3/t41-,42?,43+,45?,46+,49+,50+/m0/s1
InChIKey DFGYFPWTEMUTGD-YDXDJKNESA-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 797.204 g/mol
Solvent C6D6
Source File Reference UWRU9505