John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=11vxurNe1kZ SpectraBase Spectrum ID=CJre6Xa8SlR

(accessed ).
LEONEPETAEFOLIN_A;(4-S,5-R,6-R,8-R,9-S,10-S,13-R,15-S)-6-ACETOXY-8,17;9,13;15,16-TRIEPOXY-15-HYDROXYLABDAN-19,20-OLIDE
SpectraBase Compound ID 11vxurNe1kZ
InChI InChI=1S/C22H30O8/c1-13(23)29-14-8-21(12-28-21)22(7-6-19(30-22)9-15(24)26-10-19)20-5-3-4-18(2,16(14)20)17(25)27-11-20/h14-16,24H,3-12H2,1-2H3/t14-,15+,16+,18+,19+,20-,21-,22-/m1/s1
InChIKey GSDWUFAOBHUOSM-XOGFQYQGSA-N
Mol Weight 422.47 g/mol
Molecular Formula C22H30O8
Exact Mass 422.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJre6Xa8SlR
Name LEONEPETAEFOLIN_A;(4-S,5-R,6-R,8-R,9-S,10-S,13-R,15-S)-6-ACETOXY-8,17;9,13;15,16-TRIEPOXY-15-HYDROXYLABDAN-19,20-OLIDE
Compound Number 1
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O8
InChI InChI=1S/C22H30O8/c1-13(23)29-14-8-21(12-28-21)22(7-6-19(30-22)9-15(24)26-10-19)20-5-3-4-18(2,16(14)20)17(25)27-11-20/h14-16,24H,3-12H2,1-2H3/t14-,15+,16+,18+,19+,20-,21-,22-/m1/s1
InChIKey GSDWUFAOBHUOSM-XOGFQYQGSA-N
Literature Reference Author J.LI,F.R.FRONCZEK,D.FERREIRA,C.L.BURANDT,V.SETOLA,B.L.ROTH,J .K.ZJAWIONY
Literature Reference Citation J.NAT.PROD.,75,728(2012)
Literature Reference DOI 10.1021/np3000156
Molecular Weight 422.475 g/mol
Sample ID 40325
Solvent CDCl3
SpectraBase Batch ID K7XJ5NH0mSI