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(4R,11S,13R)-7-BETA,13-DI-O-PARA-BROMOBENZOYLOXY-6-ALPHA-TRANS-CINNAMOYLOXY-4,18:11,16:15,16-TRIEPOXY-1-NEOCLERODANONE
SpectraBase Compound ID 6ITvcOfnTly
InChI InChI=1S/C43H42Br2O10/c1-25-34(54-37(48)27-10-14-29(44)15-11-27)36(53-33(47)18-9-26-7-5-4-6-8-26)41(3)35(31(46)19-20-43(41)24-51-43)40(25,2)32-23-42(21-22-50-39(42)52-32)55-38(49)28-12-16-30(45)17-13-28/h4-18,25,32,34-36,39H,19-24H2,1-3H3/b18-9+/t25-,32+,34-,35-,36+,39+,40-,41+,42+,43+/m1/s1
InChIKey YFHDKVZYRLLXLB-XLSZRUACSA-N
Mol Weight 878.6 g/mol
Molecular Formula C43H42Br2O10
Exact Mass 876.114474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMkfwTsDRBJ
Name (4R,11S,13R)-7-BETA,13-DI-O-PARA-BROMOBENZOYLOXY-6-ALPHA-TRANS-CINNAMOYLOXY-4,18:11,16:15,16-TRIEPOXY-1-NEOCLERODANONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H42Br2O10
InChI InChI=1S/C43H42Br2O10/c1-25-34(54-37(48)27-10-14-29(44)15-11-27)36(53-33(47)18-9-26-7-5-4-6-8-26)41(3)35(31(46)19-20-43(41)24-51-43)40(25,2)32-23-42(21-22-50-39(42)52-32)55-38(49)28-12-16-30(45)17-13-28/h4-18,25,32,34-36,39H,19-24H2,1-3H3/b18-9+/t25-,32+,34-,35-,36+,39+,40-,41+,42+,43+/m1/s1
InChIKey YFHDKVZYRLLXLB-XLSZRUACSA-N
Literature Reference Author H.KIZU,N.SUGITA,T.TOMIMORI
Literature Reference Citation CHEM.PHARM.BULL.,46,988(1998)
Literature Reference DOI 10.1248/cpb.46.988
Molecular Weight 878.608 g/mol
Solvent C5D5N
Source File Reference UWMS6493