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17-BENZOYLOXY-3-O-(2,3-DIMETHYLBUTANOYL)-20-DEOXYINGENOL
SpectraBase Compound ID GdLBfljaJKS
InChI InChI=1S/C33H42O7/c1-17(2)21(6)29(36)40-28-19(4)15-32-20(5)14-24-25(23(27(32)35)13-18(3)26(34)33(28,32)38)31(24,7)16-39-30(37)22-11-9-8-10-12-22/h8-13,15,17,20-21,23-26,28,34,38H,14,16H2,1-7H3/t20-,21?,23+,24-,25+,26-,28+,31-,32+,33+/m1/s1
InChIKey FRRIZFCLGOVTAU-COYHNVODSA-N
Mol Weight 550.7 g/mol
Molecular Formula C33H42O7
Exact Mass 550.293054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6nIgHbveZGb
Name 17-BENZOYLOXY-3-O-(2,3-DIMETHYLBUTANOYL)-20-DEOXY-INGENOL
Compound Number 64
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42O7
InChI InChI=1S/C33H42O7/c1-17(2)21(6)29(36)40-28-19(4)15-32-20(5)14-24-25(23(27(32)35)13-18(3)26(34)33(28,32)38)31(24,7)16-39-30(37)22-11-9-8-10-12-22/h8-13,15,17,20-21,23-26,28,34,38H,14,16H2,1-7H3/t20-,21?,23+,24-,25+,26-,28+,31-,32+,33+/m1/s1
InChIKey FRRIZFCLGOVTAU-COYHNVODSA-N
Literature Reference Author Q.C.WU,Y.P.TANG,A.W.DING,F.Q.YOU,L.ZHANG,J.A.DUAN
Literature Reference Citation MOLECULES,14,4454(2009)
Literature Reference DOI 10.3390/molecules14114454
Molecular Weight 550.692 g/mol
Sample ID 69944
Solvent CDCl3