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COCHINCHINOXANTHONE;(1-S,3A-R,5-R,12A-R)-3,3A,4,5-TETRAHYDRO-8,10-DIHYDROXY-3,3-DIMETHYL-1-(3-METHYL-2-BUTEN-1-YL)-1,5-
SpectraBase Compound ID AKkXMWu25Ms
InChI InChI=1S/C23H24O6/c1-11(2)5-6-22-20(27)12-7-14-19(26)18-15(25)9-13(24)10-16(18)28-23(14,22)17(8-12)21(3,4)29-22/h5,7,9-10,12,17,24-25H,6,8H2,1-4H3/t12-,17+,22+,23-/m0/s1
InChIKey XCRBRZWMQVMPIY-OJVGWFQVSA-N
Mol Weight 396.44 g/mol
Molecular Formula C23H24O6
Exact Mass 396.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FG1j3dPOSpn
Name COCHINCHINOXANTHONE;(1-S,3A-R,5-R,12A-R)-3,3A,4,5-TETRAHYDRO-8,10-DIHYDROXY-3,3-DIMETHYL-1-(3-METHYL-2-BUTEN-1-YL)-1,5-
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24O6
InChI InChI=1S/C23H24O6/c1-11(2)5-6-22-20(27)12-7-14-19(26)18-15(25)9-13(24)10-16(18)28-23(14,22)17(8-12)21(3,4)29-22/h5,7,9-10,12,17,24-25H,6,8H2,1-4H3/t12-,17+,22+,23-/m0/s1
InChIKey XCRBRZWMQVMPIY-OJVGWFQVSA-N
Literature Reference Author Y.REN,S.MATTHEW,D.D.LANTVIT,T.N.NINH,H.CHAI,J.R.FUCHS,D.D.SO EJARTO,E.J.C.D.BLANC
Literature Reference Citation J.NAT.PROD.,74,1117(2011)
Literature Reference DOI 10.1021/np200051j
Molecular Weight 396.440 g/mol
Sample ID 38176
Solvent CDCl3