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SCULPONIN_F;3-BETA,6-BETA,11-ALPHA-TRIHYDROXY-15-ALPHA-ACETOXY-6,20-EPOXY-6,7-SECO-ENT-KAUR-16-EN-1-BETA,7-OLIDE
SpectraBase Compound ID ElK2VGjf6X3
InChI InChI=1S/C22H30O8/c1-9-11-5-12(24)15-21(7-11,17(9)29-10(2)23)19(27)30-14-6-13(25)20(3,4)16-18(26)28-8-22(14,15)16/h11-18,24-26H,1,5-8H2,2-4H3/t11-,12+,13+,14+,15-,16-,17-,18-,21+,22+/m1/s1
InChIKey ALIFBGCDGDBHLU-NOSYHTNISA-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 6vzij6AtitK
Name SCULPONIN_F;3-BETA,6-BETA,11-ALPHA-TRIHYDROXY-15-ALPHA-ACETOXY-6,20-EPOXY-6,7-SECO-ENT-KAUR-16-EN-1-BETA,7-OLIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O8
InChI InChI=1S/C22H30O8/c1-9-11-5-12(24)15-21(7-11,17(9)29-10(2)23)19(27)30-14-6-13(25)20(3,4)16-18(26)28-8-22(14,15)16/h11-18,24-26H,1,5-8H2,2-4H3/t11-,12+,13+,14+,15-,16-,17-,18-,21+,22+/m1/s1
InChIKey ALIFBGCDGDBHLU-NOSYHTNISA-N
Literature Reference Author L.M.LI,G.Y.LI,J.X.PU,W.L.PU,W.L.XIAO,L.S.DING,H.D.SUN
Literature Reference Citation J.NAT.PROD.,72,1851(2009)
Literature Reference DOI 10.1021/np900406c
Molecular Weight 422.475 g/mol
Sample ID 33733
Solvent C5D5N