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SCUPOLIN-F;6-ALPHA-[(2'-METHYL-BUTYRYL)-OXY]-19-CARBOXY-4-ALPHA,18-EPOXY-8-BETA-HYDROXY-NEOClEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID IaGgyjOOeXn
InChI InChI=1S/C25H36O8/c1-5-15(2)20(27)33-18-12-23(4,30)22(3,10-8-16-11-19(26)31-13-16)17-7-6-9-24(14-32-24)25(17,18)21(28)29/h11,15,17-18,30H,5-10,12-14H2,1-4H3,(H,28,29)/t15?,17-,18+,22-,23+,24+,25+/m0/s1
InChIKey HLXRXKZVYFPPMX-RLNQBKGLSA-N
Mol Weight 464.6 g/mol
Molecular Formula C25H36O8
Exact Mass 464.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38H7CiLjN2K
Name SCUPOLIN-F;6-ALPHA-[(2'-METHYL-BUTYRYL)-OXY]-19-CARBOXY-4-ALPHA,18-EPOXY-8-BETA-HYDROXY-NEOClEROD-13-EN-15,16-OLIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O8
InChI InChI=1S/C25H36O8/c1-5-15(2)20(27)33-18-12-23(4,30)22(3,10-8-16-11-19(26)31-13-16)17-7-6-9-24(14-32-24)25(17,18)21(28)29/h11,15,17-18,30H,5-10,12-14H2,1-4H3,(H,28,29)/t15?,17-,18+,22-,23+,24+,25+/m0/s1
InChIKey HLXRXKZVYFPPMX-RLNQBKGLSA-N
Literature Reference Author M.C.DELATORRE,B.RODRIGUEZ,M.BRUNO,N.VASSALO,M.L.BONDI,F.PIOZ ZI,O.SERVETTAZ
Literature Reference Citation J.NAT.PROD.,60,1229(1997)
Literature Reference DOI 10.1021/np970213a
Molecular Weight 464.556 g/mol
Solvent CDCl3
Source File Reference UWRU362