John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=13fNJAQBQnu SpectraBase Spectrum ID=GqNNtjx0AXy

(accessed ).
[6aR-(6aa,7b,10ab)]-12-methoxy-7-methoxymethyl-7,10a-dimethyl-1,2,3,4-tetraphenyl-5,6,6a,7,8,9,10,10a-octahydrochrysene
SpectraBase Compound ID 13fNJAQBQnu
InChI InChI=1S/C47H46O2/c1-46(31-48-3)28-17-29-47(2)37-30-38(49-4)45-43(35-24-15-8-16-25-35)41(33-20-11-6-12-21-33)40(32-18-9-5-10-19-32)42(34-22-13-7-14-23-34)44(45)36(37)26-27-39(46)47/h5-16,18-25,30,39H,17,26-29,31H2,1-4H3/t39?,46-,47-/m1/s1
InChIKey GLLOMZKMMDDOMU-YOYMEUSHSA-N
Mol Weight 642.9 g/mol
Molecular Formula C47H46O2
Exact Mass 642.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqNNtjx0AXy
Name [6AR-(6A-ALPHA,7-BETA,10A-BETA)]-12-METHOXY-7-METHOXYMETHYL-7,10A-DIMETHYL-1,2,3,4-TETRAPHENYL-5,6,6A,7,8,9,10,10A-OCTAHYDROCHRYSENE
Compound Number 21
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H46O2
InChI InChI=1S/C47H46O2/c1-46(31-48-3)28-17-29-47(2)37-30-38(49-4)45-43(35-24-15-8-16-25-35)41(33-20-11-6-12-21-33)40(32-18-9-5-10-19-32)42(34-22-13-7-14-23-34)44(45)36(37)26-27-39(46)47/h5-16,18-25,30,39H,17,26-29,31H2,1-4H3/t39?,46-,47-/m1/s1
InChIKey GLLOMZKMMDDOMU-YOYMEUSHSA-N
Literature Reference Author R.C.CAMBIE,P.I.HIGGS,P.S.RUTLEDGE,P.D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,47,1815(1994)
Literature Reference DOI 10.1071/ch9941815
Molecular Weight 642.881 g/mol
Solvent Unknown
Source File Reference UWVP4700
SpectraBase Batch ID 874GBbp6TGM