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(1-R*,2-R*,3-E,11-R*,12-S*)-2-O-ACETYL-16-O-(3-HYDROXY-3-METHYLGLUTARYL)-2,16,18-TRIHYDROXYDOLABELLA-3,8-(17)-DIEN-7-ONE
SpectraBase Compound ID Fvrt5K4U3qD
InChI InChI=1S/C28H42O9/c1-17-7-9-21-20(26(3,4)34)11-12-28(21,6)23(37-18(2)29)13-19(8-10-22(17)30)16-36-25(33)15-27(5,35)14-24(31)32/h13,20-21,23,34-35H,1,7-12,14-16H2,2-6H3,(H,31,32)/b19-13-/t20-,21+,23+,27?,28+/m1/s1
InChIKey UEGOATROGDUXGQ-CHYFFVMWSA-N
Mol Weight 522.6 g/mol
Molecular Formula C28H42O9
Exact Mass 522.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SxsFcMx80i
Name (1-R*,2-R*,3-E,11-R*,12-S*)-2-O-ACETYL-16-O-(3-HYDROXY-3-METHYLGLUTARYL)-2,16,18-TRIHYDROXYDOLABELLA-3,8-(17)-DIEN-7-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O9
InChI InChI=1S/C28H42O9/c1-17-7-9-21-20(26(3,4)34)11-12-28(21,6)23(37-18(2)29)13-19(8-10-22(17)30)16-36-25(33)15-27(5,35)14-24(31)32/h13,20-21,23,34-35H,1,7-12,14-16H2,2-6H3,(H,31,32)/b19-13-/t20-,21+,23+,27?,28+/m1/s1
InChIKey UEGOATROGDUXGQ-CHYFFVMWSA-N
Literature Reference Author K.M.MOHAMED,K.OHTANI,R.KASAI,K.YAMASAKI
Literature Reference Citation PHYTOCHEM.,39,151(1995)
Literature Reference DOI 10.1016/0031-9422(94)00917-I
Molecular Weight 522.636 g/mol
Solvent C5D5N
Source File Reference UWMZ8964