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(13S,19R)-7-BETA-ACETOXY-4-ALPHA,18-EPOXY-6-ALPHA-HYDROXY-NEOClERODANE-16,15-OLIDE-19,2-ALPHA-(19-O-ISOBUTYRYL)-HEMIACETAL

View entire compound with spectra: 1 NMR

(13S,19R)-7-BETA-ACETOXY-4-ALPHA,18-EPOXY-6-ALPHA-HYDROXY-NEOClERODANE-16,15-OLIDE-19,2-ALPHA-(19-O-ISOBUTYRYL)-HEMIACETAL
SpectraBase Compound ID DYHqytmq1Ly
InChI InChI=1S/C26H38O9/c1-13(2)21(29)35-23-26-18(10-17(34-23)11-25(26)12-32-25)24(5,8-6-16-7-9-31-22(16)30)14(3)19(20(26)28)33-15(4)27/h13-14,16-20,23,28H,6-12H2,1-5H3/t14-,16-,17-,18-,19-,20+,23-,24+,25+,26+/m1/s1
InChIKey YKXXWSFZYGHRCY-QYLHGJNUSA-N
Mol Weight 494.6 g/mol
Molecular Formula C26H38O9
Exact Mass 494.251583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16s0Lf93ete
Name (13S,19R)-7-BETA-ACETOXY-4-ALPHA,18-EPOXY-6-ALPHA-HYDROXY-NEOClERODANE-16,15-OLIDE-19,2-ALPHA-(19-O-ISOBUTYRYL)-HEMIACETAL
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38O9
InChI InChI=1S/C26H38O9/c1-13(2)21(29)35-23-26-18(10-17(34-23)11-25(26)12-32-25)24(5,8-6-16-7-9-31-22(16)30)14(3)19(20(26)28)33-15(4)27/h13-14,16-20,23,28H,6-12H2,1-5H3/t14-,16-,17-,18-,19-,20+,23-,24+,25+,26+/m1/s1
InChIKey YKXXWSFZYGHRCY-QYLHGJNUSA-N
Literature Reference Author B.RODRIGUEZ,B.RODRIGUEZ,M.C.DELATORRE,M.S.J.SIMMONDS,W.M.BLA NEY
Literature Reference Citation J.NAT.PROD.,62,594(1999)
Literature Reference DOI 10.1021/np9805286
Molecular Weight 494.582 g/mol
Solvent CDCl3
Source File Reference UWGE1126