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IRISTECTORONE-A
SpectraBase Compound ID BrHCfZ7UJM6
InChI InChI=1S/C66H104O8/c1-9-11-13-15-17-19-21-22-24-26-28-30-32-41-65-54(45-51(5)36-33-35-50(3)4)46-53(47-58(65)59(68)48-60(73-8)63(65)71)56-40-43-66(62(56)70)57(55(52(6)49-67)39-42-64(66,7)72)37-34-44-74-61(69)38-31-29-27-25-23-20-18-16-14-12-10-2/h15-18,35,45-46,48-49,54,56-58,62,70,72H,9-14,19-34,36-44,47H2,1-8H3/b17-15-,18-16-,51-45+,55-52+/t54-,56-,57+,58+,62+,64+,65+,66-/m0/s1
InChIKey PYFBBLOEUMAUFE-RMMAIDPYSA-N
Mol Weight 1025.5 g/mol
Molecular Formula C66H104O8
Exact Mass 1024.77312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID lr6qbG1NAB
Name IRISTECTORONE-A
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H104O8
InChI InChI=1S/C66H104O8/c1-9-11-13-15-17-19-21-22-24-26-28-30-32-41-65-54(45-51(5)36-33-35-50(3)4)46-53(47-58(65)59(68)48-60(73-8)63(65)71)56-40-43-66(62(56)70)57(55(52(6)49-67)39-42-64(66,7)72)37-34-44-74-61(69)38-31-29-27-25-23-20-18-16-14-12-10-2/h15-18,35,45-46,48-49,54,56-58,62,70,72H,9-14,19-34,36-44,47H2,1-8H3/b17-15-,18-16-,51-45+,55-52+/t54-,56-,57+,58+,62+,64+,65+,66-/m0/s1
InChIKey PYFBBLOEUMAUFE-RMMAIDPYSA-N
Literature Reference Author K.SEKI,T.TOMIHARI,K.HAGA,R.KANEKO
Literature Reference Citation PHYTOCHEM.,37,807(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90362-5
Molecular Weight 1025.547 g/mol
Solvent CDCl3
Source File Reference UWLU23488