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(1R,2S,3S,5R,6R,7S,8S,9S)-2,6-DIBENZYLOXY-3-(3-BUTENYL)-7,9-(ISOPROPYLIDENEDIOXY)-4,4,8-TRIMETHYL-12-METHYLENEBICYCLO-[6.4.0]-DODECAN-3,5-DIOL
SpectraBase Compound ID 5Op39p1fqPX
InChI InChI=1S/C37H50O6/c1-8-9-22-37(39)32(41-24-27-18-14-11-15-19-27)29-25(2)20-21-28-36(29,7)33(43-35(5,6)42-28)30(31(38)34(37,3)4)40-23-26-16-12-10-13-17-26/h8,10-19,28-33,38-39H,1-2,9,20-24H2,3-7H3/t28-,29?,30+,31-,32?,33+,36+,37+/m0/s1
InChIKey ZASHYLRWDNTTIC-BLHBRFRDSA-N
Mol Weight 590.8 g/mol
Molecular Formula C37H50O6
Exact Mass 590.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wwZmOjqhPN
Name (1R,2S,3S,5R,6R,7S,8S,9S)-2,6-DIBENZYLOXY-3-(3-BUTENYL)-7,9-(ISOPROPYLIDENEDIOXY)-4,4,8-TRIMETHYL-12-METHYLENEBICYCLO-[6.4.0]-DODECAN-3,5-DIOL
Compound Number 51
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H50O6
InChI InChI=1S/C37H50O6/c1-8-9-22-37(39)32(41-24-27-18-14-11-15-19-27)29-25(2)20-21-28-36(29,7)33(43-35(5,6)42-28)30(31(38)34(37,3)4)40-23-26-16-12-10-13-17-26/h8,10-19,28-33,38-39H,1-2,9,20-24H2,3-7H3/t28-,29?,30+,31-,32?,33+,36+,37+/m0/s1
InChIKey ZASHYLRWDNTTIC-BLHBRFRDSA-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 590.800 g/mol
Solvent C6D6
Source File Reference UWRU9498