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ROTIORINOL_A;6-ACETYL-3-(3,5-DIMETHYL-1-E,3-E-HEPTADIENYL)-9-R-HYDROXY-8A-(R)-METHYL-7-H-FURO-[2.3-G]-2-BENZOPYRAN-7-ONE
SpectraBase Compound ID J6Tm6ImG03U
InChI InChI=1S/C23H26O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13,21,25H,6H2,1-5H3/b8-7+,14-9+/t13-,21+,23+/m0/s1
InChIKey QXVIQXFZWZQGMX-CBNFSBMOSA-N
Mol Weight 382.46 g/mol
Molecular Formula C23H26O5
Exact Mass 382.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AjSkXdJoxt
Name ROTIORINOL_A;6-ACETYL-3-(3,5-DIMETHYL-1-E,3-E-HEPTADIENYL)-9-R-HYDROXY-8A-(R)-METHYL-7-H-FURO-[2.3-G]-2-BENZOPYRAN-7-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26O5
InChI InChI=1S/C23H26O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13,21,25H,6H2,1-5H3/b8-7+,14-9+/t13-,21+,23+/m0/s1
InChIKey QXVIQXFZWZQGMX-CBNFSBMOSA-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 382.456 g/mol
Solvent CDCl3
Source File Reference UWMZ18538