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#11;[1R-(1-ALPHA,4A-BETA,10A-ALPHA)]-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-ISOPROPYL-1-PHENANTHRENMETHYL-PERACETYL-ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D
SpectraBase Compound ID 6OxHLb1LosF
InChI InChI=1S/C46H64O18/c1-23(2)31-13-15-33-32(19-31)14-16-36-45(10,17-12-18-46(33,36)11)22-56-43-41(60-29(8)52)40(59-28(7)51)38(35(62-43)21-55-25(4)48)64-44-42(61-30(9)53)39(58-27(6)50)37(57-26(5)49)34(63-44)20-54-24(3)47/h13,15,19,23,34-44H,12,14,16-18,20-22H2,1-11H3/t34-,35-,36?,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+/m0/s1
InChIKey JRXANYNFHCIWIR-VVLCIINPSA-N
Mol Weight 905.0 g/mol
Molecular Formula C46H64O18
Exact Mass 904.409265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQge4sOdFKz
Name #11;[1R-(1-ALPHA,4A-BETA,10A-ALPHA)]-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-ISOPROPYL-1-PHENANTHRENMETHYL-PERACETYL-ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H64O18
InChI InChI=1S/C46H64O18/c1-23(2)31-13-15-33-32(19-31)14-16-36-45(10,17-12-18-46(33,36)11)22-56-43-41(60-29(8)52)40(59-28(7)51)38(35(62-43)21-55-25(4)48)64-44-42(61-30(9)53)39(58-27(6)50)37(57-26(5)49)34(63-44)20-54-24(3)47/h13,15,19,23,34-44H,12,14,16-18,20-22H2,1-11H3/t34-,35-,36?,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+/m0/s1
InChIKey JRXANYNFHCIWIR-VVLCIINPSA-N
Literature Reference Author E.HASLINGER,W.SEEBACHER,R.WEIS
Literature Reference Citation MH.CHEM.,128,1009(1997)
Literature Reference DOI 10.1007/BF00806967
Molecular Weight 905.003 g/mol
Solvent CDCl3
Source File Reference UWRK3284