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SCUPOLIN-G;(11-S,13-R,16-S,19-R)-6-ALPHA-ACETOXY-19-(ISOBUTYRYLOXY)-2-ALPHA,19;4-ALPHA,18;11,16;15,16-TETRAEPOXY-NEOClERODAN-3-BETA-OL

View entire compound with spectra: 1 NMR

SCUPOLIN-G;(11-S,13-R,16-S,19-R)-6-ALPHA-ACETOXY-19-(ISOBUTYRYLOXY)-2-ALPHA,19;4-ALPHA,18;11,16;15,16-TETRAEPOXY-NEOClERODAN-3-BETA-OL
SpectraBase Compound ID FAqYErNxl6j
InChI InChI=1S/C26H38O9/c1-12(2)21(29)35-23-26-17(10-16(33-23)20(28)25(26)11-31-25)24(5,13(3)8-19(26)32-14(4)27)18-9-15-6-7-30-22(15)34-18/h12-13,15-20,22-23,28H,6-11H2,1-5H3/t13-,15+,16-,17?,18-,19+,20+,22-,23-,24+,25-,26+/m1/s1
InChIKey JRFTYJRNDOQDQK-HPVWHCBASA-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 9eO2BMs9DPd
Name SCUPOLIN-G;(11-S,13-R,16-S,19-R)-6-ALPHA-ACETOXY-19-(ISOBUTYRYLOXY)-2-ALPHA,19;4-ALPHA,18;11,16;15,16-TETRAEPOXY-NEOClERODAN-3-BETA-OL
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38O9
InChI InChI=1S/C26H38O9/c1-12(2)21(29)35-23-26-17(10-16(33-23)20(28)25(26)11-31-25)24(5,13(3)8-19(26)32-14(4)27)18-9-15-6-7-30-22(15)34-18/h12-13,15-20,22-23,28H,6-11H2,1-5H3/t13-,15+,16-,17?,18-,19+,20+,22-,23-,24+,25-,26+/m1/s1
InChIKey JRFTYJRNDOQDQK-HPVWHCBASA-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 494.582 g/mol
Solvent CDCl3
Source File Reference UWRU363