John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JX8g9KCG10r SpectraBase Spectrum ID=2AJ9Bd6sqly

(accessed ).
(4R,11S,13R)-7-BETA-TRANS-CINNAMOYLOXY-4,18:11,16:15,16-TRIEPOXY-1-NEOCLERODANONE-13-O-METHOXY-(TRIFLUOROMETHYL)-PHENYL-ACETYLESTER
SpectraBase Compound ID JX8g9KCG10r
InChI InChI=1S/C39H43F3O10/c1-23-29(51-28(44)16-15-24-11-7-5-8-12-24)31(45)35(3)30(26(43)17-18-37(35)22-49-37)34(23,2)27-21-36(19-20-48-33(36)50-27)52-32(46)38(47-4,39(40,41)42)25-13-9-6-10-14-25/h5-16,23,27,29-31,33,45H,17-22H2,1-4H3/b16-15+/t23-,27+,29-,30-,31+,33+,34-,35+,36+,37+,38+/m1/s1
InChIKey MDSLPICYWAKPGE-CKORJESXSA-N
Mol Weight 728.8 g/mol
Molecular Formula C39H43F3O10
Exact Mass 728.280833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AJ9Bd6sqly
Name (4R,11S,13R)-7-BETA-TRANS-CINNAMOYLOXY-4,18:11,16:15,16-TRIEPOXY-1-NEOCLERODANONE-13-O-METHOXY-(TRIFLUOROMETHYL)-PHENYL-ACETYLESTER
Compound Number 1C
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H43F3O10
InChI InChI=1S/C39H43F3O10/c1-23-29(51-28(44)16-15-24-11-7-5-8-12-24)31(45)35(3)30(26(43)17-18-37(35)22-49-37)34(23,2)27-21-36(19-20-48-33(36)50-27)52-32(46)38(47-4,39(40,41)42)25-13-9-6-10-14-25/h5-16,23,27,29-31,33,45H,17-22H2,1-4H3/b16-15+/t23-,27+,29-,30-,31+,33+,34-,35+,36+,37+,38+/m1/s1
InChIKey MDSLPICYWAKPGE-CKORJESXSA-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 728.760 g/mol
Solvent C5D5N
Source File Reference UWMS6488
SpectraBase Batch ID 6odo0M49iuI