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ACETYL_ROTIORINOL_A;6,9-DIACETOXY-3-(3,5-DIMETHYL-1-E,3-E-HEPTADIENYL)-8A-(R)-METHYL-7-H-FURO-[2.3-G]-2-BENZOPYRAN-7-ONE
SpectraBase Compound ID ncskKSajBn
InChI InChI=1S/C25H28O6/c1-7-14(2)10-15(3)8-9-19-11-18-12-21-22(16(4)26)24(28)31-25(21,6)23(30-17(5)27)20(18)13-29-19/h8-14,23H,7H2,1-6H3/b9-8+,15-10+/t14-,23+,25+/m0/s1
InChIKey FPZRXMJMKCIEDD-FTZGNFFISA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 944ZgDaGjdx
Name ACETYL_ROTIORINOL_A;6,9-DIACETOXY-3-(3,5-DIMETHYL-1-E,3-E-HEPTADIENYL)-8A-(R)-METHYL-7-H-FURO-[2.3-G]-2-BENZOPYRAN-7-ONE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-7-14(2)10-15(3)8-9-19-11-18-12-21-22(16(4)26)24(28)31-25(21,6)23(30-17(5)27)20(18)13-29-19/h8-14,23H,7H2,1-6H3/b9-8+,15-10+/t14-,23+,25+/m0/s1
InChIKey FPZRXMJMKCIEDD-FTZGNFFISA-N
Literature Reference Author S.KANOKMEDHAKUL,K.KANOKMEDHAKUL,P.HASOMJAI,S.LOUANGSYSOUPHAN H,K.SOYTONG,M.INOBE,
Literature Reference Citation J.NAT.PROD.,69,891(2006)
Literature Reference DOI 10.1021/np060051v
Molecular Weight 424.494 g/mol
Solvent CDCl3
Source File Reference UWMZ18539