John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1ihIBZsK2I8 SpectraBase Spectrum ID=7zzJRw6vKfH

(accessed ).
ABIETA-8,11,13-TRIEN-11,12-DIOL-6-ALPHA,7-ALPHA-DIHYDROXY-IMBrICATOLIC-ACID-15'-YL
SpectraBase Compound ID 1ihIBZsK2I8
InChI InChI=1S/C40H60O6/c1-22(2)25-21-26-30(32(42)31(25)41)40(9)19-10-16-37(5,6)35(40)34-33(26)45-29(46-34)20-23(3)12-14-27-24(4)13-15-28-38(27,7)17-11-18-39(28,8)36(43)44/h21-23,27-29,33-35,41-42H,4,10-20H2,1-3,5-9H3,(H,43,44)/t23-,27+,28?,29+,33-,34-,35?,38-,39+,40+/m0/s1
InChIKey XWJQKJGYCVQLON-IYIVVFGTSA-N
Mol Weight 636.9 g/mol
Molecular Formula C40H60O6
Exact Mass 636.43899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zzJRw6vKfH
Name ABIETA-8,11,13-TRIEN-11,12-DIOL-6-ALPHA,7-ALPHA-DIHYDROXY-IMBrICATOLIC-ACID-15'-YL
Compound Number 21
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H60O6
InChI InChI=1S/C40H60O6/c1-22(2)25-21-26-30(32(42)31(25)41)40(9)19-10-16-37(5,6)35(40)34-33(26)45-29(46-34)20-23(3)12-14-27-24(4)13-15-28-38(27,7)17-11-18-39(28,8)36(43)44/h21-23,27-29,33-35,41-42H,4,10-20H2,1-3,5-9H3,(H,43,44)/t23-,27+,28?,29+,33-,34-,35?,38-,39+,40+/m0/s1
InChIKey XWJQKJGYCVQLON-IYIVVFGTSA-N
Literature Reference Author W.C.SU,J.M.FANG,Y.S.CHENG
Literature Reference Citation PHYTOCHEM.,41,255(1996)
Literature Reference DOI 10.1016/0031-9422(95)00417-3
Molecular Weight 636.913 g/mol
Solvent CDCl3
Source File Reference UWLU3865
SpectraBase Batch ID CcKx2hhqjfu