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METASEQUOIC_ACID_C;4-ALPHA-HYDROXY-METHYL-18-(4->3-ALPHA)-ABEOLABDA-8-(17),E-13-DIEN-15-OIC_ACID
SpectraBase Compound ID G3Yuj6cw36B
InChI InChI=1S/C20H32O3/c1-13(12-18(21)22)6-8-16-14(2)7-9-17-19(16,4)11-10-15(3)20(17,5)23/h12,15-17,23H,2,6-11H2,1,3-5H3,(H,21,22)/b13-12+/t15-,16+,17-,19-,20-/m1/s1
InChIKey KKSRPYFDSRXBHV-PIGWEYSDSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKhpqOidrZh
Name METASEQUOIC_ACID_C;4-ALPHA-HYDROXY-METHYL-18-(4->3-ALPHA)-ABEOLABDA-8-(17),E-13-DIEN-15-OIC_ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-13(12-18(21)22)6-8-16-14(2)7-9-17-19(16,4)11-10-15(3)20(17,5)23/h12,15-17,23H,2,6-11H2,1,3-5H3,(H,21,22)/b13-12+/t15-,16+,17-,19-,20-/m1/s1
InChIKey KKSRPYFDSRXBHV-PIGWEYSDSA-N
Literature Reference Author L.B.DONG,J.HE,Y.Y.WANG,X.D.WU,X.DENG,Z.H.PAN,G.XU,L.Y.PENG,Y .ZHAO,Y.LI,X.GONG,Q.
Literature Reference Citation J.NAT.PROD.,74,234(2011)
Literature Reference DOI 10.1021/np100694k
Molecular Weight 320.472 g/mol
Sample ID 37626
Solvent CDCl3