John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7dPr85tcu7l SpectraBase Spectrum ID=8kIt3aXQFhC

(accessed ).
ISOXUXUARINE-D-ALPHA
SpectraBase Compound ID 7dPr85tcu7l
InChI InChI=1S/C56H70O8/c1-29-23-39-47(4,28-36(29)58)15-19-51(8)38-14-13-32-33(48(38,5)16-20-52(39,51)9)26-42(59)56(62)55(32,12)63-37-25-34-43(31(3)45(37)64-56)35(57)27-41-49(34,6)17-21-53(10)40-24-30(2)44(60)46(61)50(40,7)18-22-54(41,53)11/h13-14,25-27,29-30,39-40,46,61-62H,15-24,28H2,1-12H3/t29-,30-,39-,40-,46-,47+,48+,49+,50-,51-,52+,53+,54-,55+,56-/m1/s1
InChIKey IQYFPQPOGAJTFU-LOZQJNQRSA-N
Mol Weight 871.2 g/mol
Molecular Formula C56H70O8
Exact Mass 870.50707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kIt3aXQFhC
Name ISOXUXUARINE-D-ALPHA
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H70O8
InChI InChI=1S/C56H70O8/c1-29-23-39-47(4,28-36(29)58)15-19-51(8)38-14-13-32-33(48(38,5)16-20-52(39,51)9)26-42(59)56(62)55(32,12)63-37-25-34-43(31(3)45(37)64-56)35(57)27-41-49(34,6)17-21-53(10)40-24-30(2)44(60)46(61)50(40,7)18-22-54(41,53)11/h13-14,25-27,29-30,39-40,46,61-62H,15-24,28H2,1-12H3/t29-,30-,39-,40-,46-,47+,48+,49+,50-,51-,52+,53+,54-,55+,56-/m1/s1
InChIKey IQYFPQPOGAJTFU-LOZQJNQRSA-N
Literature Reference Author O.SHIROTA,S.SEKITA,M.SATAKE,H.MORITA,K.TAKEYA,H.ITOKAWA
Literature Reference Citation CHEM.BIODIV.,1,1296(2004)
Literature Reference DOI 10.1002/cbdv.200490092
Molecular Weight 871.167 g/mol
Solvent CDCl3
Source File Reference UWMS21752
SpectraBase Batch ID Lvh17USG03G