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20-CINNAMOYLOXY-5-EPI-CANADENSENE;(3E,8E)-2-ALPHA,7-BETA,9,10-BETA,13-ALPHA-PENTAACETOXY-5-ALPHA-HYDROXY-20-CINNAMOYLOXY-3,8-SECOTAXA-3,8,11-TRIENE
SpectraBase Compound ID KXIh7ZsnxUX
InChI InChI=1S/C39H48O13/c1-21-32(48-23(3)40)18-30-34(50-25(5)42)17-29(20-47-35(46)16-15-28-13-11-10-12-14-28)31(45)19-33(49-24(4)41)22(2)37(51-26(6)43)38(52-27(7)44)36(21)39(30,8)9/h10-17,30-34,38,45H,18-20H2,1-9H3/b16-15+,29-17+,37-22+/t30-,31-,32-,33-,34-,38+/m0/s1
InChIKey CJIQEYDGSFKYGM-CGQCZATRSA-N
Mol Weight 724.8 g/mol
Molecular Formula C39H48O13
Exact Mass 724.309492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GWWslTlyEo
Name 20-CINNAMOYLOXY-5-EPI-CANADENSENE;(3E,8E)-2-ALPHA,7-BETA,9,10-BETA,13-ALPHA-PENTAACETOXY-5-ALPHA-HYDROXY-20-CINNAMOYLOXY-3,8-SECOTAXA-3,8,11-TRIENE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H48O13
InChI InChI=1S/C39H48O13/c1-21-32(48-23(3)40)18-30-34(50-25(5)42)17-29(20-47-35(46)16-15-28-13-11-10-12-14-28)31(45)19-33(49-24(4)41)22(2)37(51-26(6)43)38(52-27(7)44)36(21)39(30,8)9/h10-17,30-34,38,45H,18-20H2,1-9H3/b16-15+,29-17+,37-22+/t30-,31-,32-,33-,34-,38+/m0/s1
InChIKey CJIQEYDGSFKYGM-CGQCZATRSA-N
Literature Reference Author Q.W.SHI,A.NIKOLAKAKIS,F.SAURIOL,O.MAMER,L.O.ZAMIR
Literature Reference Citation CAN.J.CHEM.,81,406(2003)
Literature Reference DOI 10.1139/v03-084
Molecular Weight 724.802 g/mol
Solvent CDCl3
Source File Reference UWLU29994