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ABIETA-8,11,13-TRIEN-12-OL-6-ALPHA,7-BETA,12-TRIHYDROXY-6,7-SECOABIETA-8,11,13-TRIEN-6,7-DIAL-7'-YL
SpectraBase Compound ID HUM4gS1Xi6I
InChI InChI=1S/C40H56O5/c1-22(2)24-17-26-28(19-30(24)42)40(10)16-12-14-38(7,8)35(40)34-33(26)44-36(45-34)27-18-25(23(3)4)31(43)20-29(27)39(9)15-11-13-37(5,6)32(39)21-41/h17-23,32-36,42-43H,11-16H2,1-10H3/t32-,33+,34-,35?,36+,39+,40+/m0/s1
InChIKey MWDFPCUZRNPYPD-QVZRACBOSA-N
Mol Weight 616.9 g/mol
Molecular Formula C40H56O5
Exact Mass 616.412775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AIY60zNRah
Name ABIETA-8,11,13-TRIEN-12-OL-6-ALPHA,7-BETA,12-TRIHYDROXY-6,7-SECOABIETA-8,11,13-TRIEN-6,7-DIAL-7'-YL
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H56O5
InChI InChI=1S/C40H56O5/c1-22(2)24-17-26-28(19-30(24)42)40(10)16-12-14-38(7,8)35(40)34-33(26)44-36(45-34)27-18-25(23(3)4)31(43)20-29(27)39(9)15-11-13-37(5,6)32(39)21-41/h17-23,32-36,42-43H,11-16H2,1-10H3/t32-,33+,34-,35?,36+,39+,40+/m0/s1
InChIKey MWDFPCUZRNPYPD-QVZRACBOSA-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 616.882 g/mol
Solvent CDCl3
Source File Reference UWLU3867