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5-DEACETYLBACCATIN-I
SpectraBase Compound ID Fe5WR1tirbo
InChI InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,21(40-15(3)32)10-20(36)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29+,30+/m0/s1
InChIKey KLIDFAOXPCGARX-RRHJOLCQSA-N
Mol Weight 610.7 g/mol
Molecular Formula C30H42O13
Exact Mass 610.262541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEUOjTTgpp7
Name 5-DEACETYL-1-HYDROXY-BACCATIN-I
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O13
InChI InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,21(40-15(3)32)10-20(36)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29+,30+/m0/s1
InChIKey KLIDFAOXPCGARX-RRHJOLCQSA-N
Literature Reference Author L.BARBONI,C.LAMBERTUCCI,G.APPENDINO,B.GABETTA
Literature Reference Citation PHYTOCHEM.,46,179(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00219-7
Molecular Weight 610.656 g/mol
Sample ID 44822
Solvent CDCl3