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GRANDILOBATIN_A;(1-R*,4-R*,12-S*,2-E,7-E)-1-METHOXY-4,15-DIHYDROXYCEMBRA-2,7-DIEN-10-ONE
SpectraBase Compound ID JhzGgGrTqH4
InChI InChI=1S/C21H36O4/c1-16-8-7-10-20(5,24)12-13-21(25-6,19(3,4)23)11-9-17(2)15-18(22)14-16/h8,12-13,17,23-24H,7,9-11,14-15H2,1-6H3/b13-12+,16-8+/t17-,20+,21+/m0/s1
InChIKey PUAPJGQBSUWLAY-MBUZTULVSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOHrkRGb7Wj
Name GRANDILOBATIN_A;(1-R*,4-R*,12-S*,2-E,7-E)-1-METHOXY-4,15-DIHYDROXYCEMBRA-2,7-DIEN-10-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-16-8-7-10-20(5,24)12-13-21(25-6,19(3,4)23)11-9-17(2)15-18(22)14-16/h8,12-13,17,23-24H,7,9-11,14-15H2,1-6H3/b13-12+,16-8+/t17-,20+,21+/m0/s1
InChIKey PUAPJGQBSUWLAY-MBUZTULVSA-N
Literature Reference Author A.F.AHMED,S.H.TAI,Z.H.WEN,J.H.SU,Y.C.WU,W.P.HU,J.H.SHEU
Literature Reference Citation J.NAT.PROD.,71,946(2008)
Literature Reference DOI 10.1021/np7007335
Molecular Weight 352.514 g/mol
Sample ID 28368
Solvent CDCl3