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2-BETA-ANGELOYL-5-ALPHA,8-DIISOBUTYRYL-1-BETA,3-ALPHA,4-ALPHA,9,10,11-HEXAHYDROXYBISABOLENE
SpectraBase Compound ID KOxo9mE3s52
InChI InChI=1S/C28H46O12/c1-11-14(6)26(35)40-23-17(29)16(20(22(32)28(23,10)37)39-25(34)13(4)5)15(7)19(38-24(33)12(2)3)18(30)21(31)27(8,9)36/h11-13,16-23,29-32,36-37H,7H2,1-6,8-10H3/b14-11-/t16-,17-,18?,19-,20-,21-,22-,23-,28-/m1/s1
InChIKey NLZYENVQYIBSLP-ZLSZLMMXSA-N
Mol Weight 574.7 g/mol
Molecular Formula C28H46O12
Exact Mass 574.298927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgnSDJcjiAa
Name 2-BETA-ANGELOYL-5-ALPHA,8-DIISOBUTYRYL-1-BETA,3-ALPHA,4-ALPHA,9,10,11-HEXAHYDROXYBISABOLENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H46O12
InChI InChI=1S/C28H46O12/c1-11-14(6)26(35)40-23-17(29)16(20(22(32)28(23,10)37)39-25(34)13(4)5)15(7)19(38-24(33)12(2)3)18(30)21(31)27(8,9)36/h11-13,16-23,29-32,36-37H,7H2,1-6,8-10H3/b14-11-/t16-,17-,18?,19-,20-,21-,22-,23-,28-/m1/s1
InChIKey NLZYENVQYIBSLP-ZLSZLMMXSA-N
Literature Reference Author H.CHEN,Y.ZHU,X.M.SHEN,Z.J.JIA
Literature Reference Citation J.NAT.PROD.,59,1117(1996)
Literature Reference DOI 10.1021/np9601768
Molecular Weight 574.666 g/mol
Solvent CDCl3
Source File Reference UWKP93