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ISOABIETENIN_B;7-ALPHA,13-BETA,18-TRIHYDROXYABIETA-8-(9)-EN-11-ONE
SpectraBase Compound ID 8a05lsQbE4Q
InChI InChI=1S/C20H32O4/c1-12(2)20(24)9-13-14(22)8-16-18(3,11-21)6-5-7-19(16,4)17(13)15(23)10-20/h12,14,16,21-22,24H,5-11H2,1-4H3/t14-,16+,18+,19+,20+/m1/s1
InChIKey QJBRRHRRFOMXBL-KXAOQFNBSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITgUq9K9n6z
Name ISOABIETENIN_B;7-ALPHA,13-BETA,18-TRIHYDROXYABIETA-8-(9)-EN-11-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-12(2)20(24)9-13-14(22)8-16-18(3,11-21)6-5-7-19(16,4)17(13)15(23)10-20/h12,14,16,21-22,24H,5-11H2,1-4H3/t14-,16+,18+,19+,20+/m1/s1
InChIKey QJBRRHRRFOMXBL-KXAOQFNBSA-N
Literature Reference Author J.H.YANG,X.DU,F.HE,H.B.ZHANG,X.N.LI,J.SU,Y.LI,J.X.PU,H.D.SUN
Literature Reference Citation J.NAT.PROD.,76,256(2013)
Literature Reference DOI 10.1021/np300772e
Molecular Weight 336.472 g/mol
Sample ID 42205
Solvent C5D5N