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ISOSCOPARIN_G;7-ALPHA,14-BETA,18-TRIHYDROXY-16-BETA-METHOXYMETHYL-ENT-KAUR-11,15-DIONE
SpectraBase Compound ID CtQTU5bSKIb
InChI InChI=1S/C21H32O6/c1-19(10-22)5-4-6-20(2)14(19)8-15(24)21-16(20)13(23)7-11(17(21)25)12(9-27-3)18(21)26/h11-12,14-17,22,24-25H,4-10H2,1-3H3/t11-,12+,14+,15+,16-,17+,19+,20+,21-/m0/s1
InChIKey KDEJNCGOUVGNNS-XGJMTHRMSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O6
Exact Mass 380.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4BPGQQn5yt
Name ISOSCOPARIN_G;7-ALPHA,14-BETA,18-TRIHYDROXY-16-BETA-METHOXYMETHYL-ENT-KAUR-11,15-DIONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O6
InChI InChI=1S/C21H32O6/c1-19(10-22)5-4-6-20(2)14(19)8-15(24)21-16(20)13(23)7-11(17(21)25)12(9-27-3)18(21)26/h11-12,14-17,22,24-25H,4-10H2,1-3H3/t11-,12+,14+,15+,16-,17+,19+,20+,21-/m0/s1
InChIKey KDEJNCGOUVGNNS-XGJMTHRMSA-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 380.481 g/mol
Sample ID 32054
Solvent C5D5N