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(1S,2S,4R,(5Z),7S,8R,9S,10S,13S,14R,17R)-JUNCEOL-D
SpectraBase Compound ID 4NZlHOUhhkL
InChI InChI=1S/C35H50O13/c1-16(2)12-28(39)46-24-15-26(47-32(40)17(3)4)34(11)29(19(6)13-25(43-21(8)36)30(34)44-22(9)37)31(45-23(10)38)35(42)20(7)33(41)48-27(35)14-18(24)5/h14,16-17,20,24-27,29-31,42H,6,12-13,15H2,1-5,7-11H3/b18-14-/t20-,24+,25-,26-,27-,29+,30-,31-,34+,35-/m0/s1
InChIKey GAGRCAKSDOJRKT-MMAMHWCLSA-N
Mol Weight 678.8 g/mol
Molecular Formula C35H50O13
Exact Mass 678.325142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhX9nrnLMht
Name (1S,2S,4R,(5Z),7S,8R,9S,10S,13S,14R,17R)-JUNCEOL-D
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H50O13
InChI InChI=1S/C35H50O13/c1-16(2)12-28(39)46-24-15-26(47-32(40)17(3)4)34(11)29(19(6)13-25(43-21(8)36)30(34)44-22(9)37)31(45-23(10)38)35(42)20(7)33(41)48-27(35)14-18(24)5/h14,16-17,20,24-27,29-31,42H,6,12-13,15H2,1-5,7-11H3/b18-14-/t20-,24+,25-,26-,27-,29+,30-,31-,34+,35-/m0/s1
InChIKey GAGRCAKSDOJRKT-MMAMHWCLSA-N
Literature Reference Author P.J.SUNG,C.H.PAI,T.L.HWANG,T.Y.FAN,J.H.SU,J.J.CHEN,L.S.FANG, W.H.WANG,J.H.SHEU
Literature Reference Citation CHEM.PHARM.BULL.,56,1276(2008)
Literature Reference DOI 10.1248/cpb.56.1276
Molecular Weight 678.774 g/mol
Sample ID 2206
Solvent CDCl3