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IRISTECTORENE-B
SpectraBase Compound ID GKVoO3Z8QGJ
InChI InChI=1S/C44H76O5/c1-9-10-11-12-13-14-15-16-17-18-19-27-42(47)49-33-22-26-40-39(38(6)34-45)30-32-44(8,48)43(40,7)31-21-25-37(5)41(46)29-28-36(4)24-20-23-35(2)3/h23,25,28,34,40-41,46,48H,9-22,24,26-27,29-33H2,1-8H3/b36-28+,37-25+,39-38-/t40-,41?,43+,44+/m1/s1
InChIKey UHFDAENQNSFKSB-NISMCCCHSA-N
Mol Weight 685.1 g/mol
Molecular Formula C44H76O5
Exact Mass 684.569276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wLsdJysdh8
Name IRISTECTORENE-B
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H76O5
InChI InChI=1S/C44H76O5/c1-9-10-11-12-13-14-15-16-17-18-19-27-42(47)49-33-22-26-40-39(38(6)34-45)30-32-44(8,48)43(40,7)31-21-25-37(5)41(46)29-28-36(4)24-20-23-35(2)3/h23,25,28,34,40-41,46,48H,9-22,24,26-27,29-33H2,1-8H3/b36-28+,37-25+,39-38-/t40-,41?,43+,44+/m1/s1
InChIKey UHFDAENQNSFKSB-NISMCCCHSA-N
Literature Reference Author K.SEKI,T.TOMIHARI,K.HAGA,R.KANEKO
Literature Reference Citation PHYTOCHEM.,36,425(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97089-4
Molecular Weight 685.084 g/mol
Solvent CDCl3
Source File Reference UWMS25212