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(3-S,6-R,8-R,9-R,13-S,16-S)-9,13,15,16-BISEPOXY-3,6,16-TRIHYDROXY-LABDANE-3,6-DI-O-PARA-BROMOBENZOYL-(16-R)-METHYLETHER
SpectraBase Compound ID LgaXLGMHjis
InChI InChI=1S/C35H42Br2O7/c1-21-20-26(42-29(38)22-6-10-24(36)11-7-22)28-32(2,3)27(43-30(39)23-8-12-25(37)13-9-23)14-15-33(28,4)35(21)17-16-34(44-35)18-19-41-31(34)40-5/h6-13,21,26-28,31H,14-20H2,1-5H3/t21-,26-,27+,28+,31-,33+,34-,35+/m1/s1
InChIKey YLPQMFJRFDUGNQ-MBSKLZGGSA-N
Mol Weight 734.5 g/mol
Molecular Formula C35H42Br2O7
Exact Mass 732.12973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgDrZ771kpD
Name (3-S,6-R,8-R,9-R,13-S,16-S)-9,13,15,16-BISEPOXY-3,6,16-TRIHYDROXY-LABDANE-3,6-DI-O-PARA-BROMOBENZOYL-(16-S)-METHYLETHER
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H42Br2O7
InChI InChI=1S/C35H42Br2O7/c1-21-20-26(42-29(38)22-6-10-24(36)11-7-22)28-32(2,3)27(43-30(39)23-8-12-25(37)13-9-23)14-15-33(28,4)35(21)17-16-34(44-35)18-19-41-31(34)40-5/h6-13,21,26-28,31H,14-20H2,1-5H3/t21-,26-,27+,28+,31-,33+,34-,35+/m1/s1
InChIKey YLPQMFJRFDUGNQ-MBSKLZGGSA-N
Literature Reference Author Y.MIYAICHI,A.SEGAWA,T.TOMIMORI
Literature Reference Citation CHEM.PHARM.BULL.,54,1370(2006)
Literature Reference DOI 10.1248/cpb.54.1370
Molecular Weight 734.522 g/mol
Sample ID 37313
Solvent CDCl3