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CANNABISIN-E-TETRAACETATE
SpectraBase Compound ID 6qBJeTl8PVy
InChI InChI=1S/C44H46N2O13/c1-27(47)55-35-14-7-31(8-15-35)21-23-45-41(51)20-12-33-11-18-38(39(25-33)53-5)59-43(44(52)46-24-22-32-9-16-36(17-10-32)56-28(2)48)42(58-30(4)50)34-13-19-37(57-29(3)49)40(26-34)54-6/h7-20,25-26,42-43H,21-24H2,1-6H3,(H,45,51)(H,46,52)/b20-12+
InChIKey POHRQVISILGQLI-UDWIEESQSA-N
Mol Weight 810.9 g/mol
Molecular Formula C44H46N2O13
Exact Mass 810.29999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1AgvaAMotDP
Name CANNABISIN-E-TETRAACETATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46N2O13
InChI InChI=1S/C44H46N2O13/c1-27(47)55-35-14-7-31(8-15-35)21-23-45-41(51)20-12-33-11-18-38(39(25-33)53-5)59-43(44(52)46-24-22-32-9-16-36(17-10-32)56-28(2)48)42(58-30(4)50)34-13-19-37(57-29(3)49)40(26-34)54-6/h7-20,25-26,42-43H,21-24H2,1-6H3,(H,45,51)(H,46,52)/b20-12+
InChIKey POHRQVISILGQLI-UDWIEESQSA-N
Literature Reference Author I.SAKAKIBARA,Y.IKEYA,K.HAYASHI,M.OKADA,M.MARUNO
Literature Reference Citation PHYTOCHEM.,38,1003(1995)
Literature Reference DOI 10.1016/0031-9422(94)00773-M
Molecular Weight 810.855 g/mol
Solvent CDCl3
Source File Reference UWMS3848