For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7,8-DIHYDRO-ISOXUXUARINE-D-ALPHA
SpectraBase Compound ID CLjIzYYHzyV
InChI InChI=1S/C56H72O8/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/h13,25-27,29-30,38-40,46,61-62H,14-24,28H2,1-12H3/t29-,30-,38?,39-,40-,46-,47+,48+,49+,50-,51-,52+,53+,54-,55+,56-/m1/s1
InChIKey SCAYEISPZFOKKM-MHBWLQMXSA-N
Mol Weight 873.2 g/mol
Molecular Formula C56H72O8
Exact Mass 872.522719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HeS3VFqoEaO
Name 7,8-DIHYDRO-ISOXUXUARINE-D-ALPHA
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H72O8
InChI InChI=1S/C56H72O8/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/h13,25-27,29-30,38-40,46,61-62H,14-24,28H2,1-12H3/t29-,30-,38?,39-,40-,46-,47+,48+,49+,50-,51-,52+,53+,54-,55+,56-/m1/s1
InChIKey SCAYEISPZFOKKM-MHBWLQMXSA-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 873.183 g/mol
Solvent CDCl3
Source File Reference UWMS21754