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7-OXODIHYDRO-KAROUNIDIOL-3-BENZOATE-29-ACETATE

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7-OXODIHYDRO-KAROUNIDIOL-3-BENZOATE-29-ACETATE
SpectraBase Compound ID HiyCRJsQwtc
InChI InChI=1S/C39H54O5/c1-25(40)43-24-35(4)18-19-36(5)20-21-39(8)32-27(14-17-38(39,7)30(36)23-35)37(6)16-15-31(34(2,3)29(37)22-28(32)41)44-33(42)26-12-10-9-11-13-26/h9-13,29-31H,14-24H2,1-8H3/t29-,30+,31+,35+,36+,37+,38-,39+/m0/s1
InChIKey GIGNGBXOOGROMH-ZIGIKCIUSA-N
Mol Weight 602.9 g/mol
Molecular Formula C39H54O5
Exact Mass 602.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27R7LHWtQmx
Name 7-OXODIHYDRO-KAROUNIDIOL-3-BENZOATE-29-ACETATE
Compound Number 1-ACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H54O5
InChI InChI=1S/C39H54O5/c1-25(40)43-24-35(4)18-19-36(5)20-21-39(8)32-27(14-17-38(39,7)30(36)23-35)37(6)16-15-31(34(2,3)29(37)22-28(32)41)44-33(42)26-12-10-9-11-13-26/h9-13,29-31H,14-24H2,1-8H3/t29-,30+,31+,35+,36+,37+,38-,39+/m0/s1
InChIKey GIGNGBXOOGROMH-ZIGIKCIUSA-N
Literature Reference Author T.AKIHISA,Y.KIMURA,Y.KASAHARA,K.KUMAKI,S.THAKUR,T.TAMURA
Literature Reference Citation PHYTOCHEM.,46,1261(1997)
Literature Reference DOI 10.1016/s0031-9422(97)80023-4
Molecular Weight 602.855 g/mol
Sample ID 65496
Solvent CDCl3