John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EA7R6jI9hME SpectraBase Spectrum ID=H2hgn8GaqCF

(accessed ).
IRYANTHERIN-H-PENTAACETATE
SpectraBase Compound ID EA7R6jI9hME
InChI InChI=1S/C44H46O12/c1-25(23-33-11-18-36(19-12-33)52-27(3)45)26(2)41(34-14-20-37(21-15-34)53-28(4)46)43-40(55-30(6)48)24-39(54-29(5)47)42(44(43)56-31(7)49)38(50)22-13-32-9-16-35(51-8)17-10-32/h9-12,14-21,24-26,41H,13,22-23H2,1-8H3/t25-,26+,41-/m0/s1
InChIKey ONBUXXRVAXBSRD-RMRIPTIESA-N
Mol Weight 766.8 g/mol
Molecular Formula C44H46O12
Exact Mass 766.298927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2hgn8GaqCF
Name IRYANTHERIN-H-PENTAACETATE
Compound Number 4A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46O12
InChI InChI=1S/C44H46O12/c1-25(23-33-11-18-36(19-12-33)52-27(3)45)26(2)41(34-14-20-37(21-15-34)53-28(4)46)43-40(55-30(6)48)24-39(54-29(5)47)42(44(43)56-31(7)49)38(50)22-13-32-9-16-35(51-8)17-10-32/h9-12,14-21,24-26,41H,13,22-23H2,1-8H3/t25-,26+,41-/m0/s1
InChIKey ONBUXXRVAXBSRD-RMRIPTIESA-N
Literature Reference Author D.H.S.SILVA,A.J.CAVALHEIRO,M.YOSHIDA,O.R.GOTTLIEB
Literature Reference Citation PHYTOCHEM.,38,1013(1995)
Literature Reference DOI 10.1016/0031-9422(94)00730-H
Molecular Weight 766.842 g/mol
Solvent CDCl3
Source File Reference UWMS3855
SpectraBase Batch ID luaqD4xZ0s