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GRANDILOBATIN_D;(12-S*,1-E,3-E,7-E)-15-HYDROXYCEMBRA-1,3,7-TRIEN-10-ONE
SpectraBase Compound ID 8rfKM1XvXn4
InChI InChI=1S/C20H32O2/c1-15-7-6-8-16(2)13-19(21)14-17(3)10-12-18(11-9-15)20(4,5)22/h8-9,11,17,22H,6-7,10,12-14H2,1-5H3/b15-9+,16-8+,18-11+/t17-/m0/s1
InChIKey KECRMPBXABTDAG-OKTAHGQMSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSUVwA7CzGm
Name GRANDILOBATIN_D;(12-S*,1-E,3-E,7-E)-15-HYDROXYCEMBRA-1,3,7-TRIEN-10-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-15-7-6-8-16(2)13-19(21)14-17(3)10-12-18(11-9-15)20(4,5)22/h8-9,11,17,22H,6-7,10,12-14H2,1-5H3/b15-9+,16-8+,18-11+/t17-/m0/s1
InChIKey KECRMPBXABTDAG-OKTAHGQMSA-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 304.473 g/mol
Sample ID 28371
Solvent CDCl3