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BRUCEANOL-E
SpectraBase Compound ID 2hyfpJzsVil
InChI InChI=1S/C28H38O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h8,11,13-14,16,18-23,31-33H,7,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19?,20-,21-,22-,23+,26+,27-,28+/m1/s1
InChIKey SXRILXHNZYONKW-HUNKBKQNSA-N
Mol Weight 550.6 g/mol
Molecular Formula C28H38O11
Exact Mass 550.241412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IqTSoB55MT
Name BRUCEANOL-E
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O11
InChI InChI=1S/C28H38O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h8,11,13-14,16,18-23,31-33H,7,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19?,20-,21-,22-,23+,26+,27-,28+/m1/s1
InChIKey SXRILXHNZYONKW-HUNKBKQNSA-N
Literature Reference Author K.IMAMURA,N.FUKAYIMA,M.NAKAMURA,M.OKANO,K.TAGAHARA,K.H.LEE
Literature Reference Citation J.NAT.PROD.,58,1915(1995)
Literature Reference DOI 10.1021/np50126a019
Molecular Weight 550.603 g/mol
Solvent PYRIDINE-D5
Source File Reference WANG2479