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ISOSCOPARIN_I;7-ALPHA,11-BETA,14-BETA-RIHYDROXY-ENT-KAUR-16-EN-15-OXO-18-AL
SpectraBase Compound ID AXbIiLMPDkz
InChI InChI=1S/C20H28O5/c1-10-11-7-12(22)15-19(3)6-4-5-18(2,9-21)13(19)8-14(23)20(15,16(10)24)17(11)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12-,13+,14+,15-,17+,18+,19+,20+/m0/s1
InChIKey UQAGZQADCUJYDW-YHWIGYDFSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpXTSRwhSA9
Name ISOSCOPARIN_I;7-ALPHA,11-BETA,14-BETA-RIHYDROXY-ENT-KAUR-16-EN-15-OXO-18-AL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-10-11-7-12(22)15-19(3)6-4-5-18(2,9-21)13(19)8-14(23)20(15,16(10)24)17(11)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12-,13+,14+,15-,17+,18+,19+,20+/m0/s1
InChIKey UQAGZQADCUJYDW-YHWIGYDFSA-N
Literature Reference Author Y.ZHAO,J.X.PU,S.X.HUANG,Y.L.WU,L.B.YANG,W.L.XIAO,Q.B.HAN,G.Q .CHEN,H.D.SUN
Literature Reference Citation J.NAT.PROD.,72,125(2009)
Literature Reference DOI 10.1021/np800484j
Molecular Weight 348.439 g/mol
Sample ID 32058
Solvent C5D5N