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CANNABISIN_C_PENTAACETATE

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CANNABISIN_C_PENTAACETATE
SpectraBase Compound ID 2w995ZSdiwj
InChI InChI=1S/C45H44N2O13/c1-25(48)56-34-12-7-30(8-13-34)17-19-46-44(53)37-21-33-23-39(55-6)41(60-29(5)52)24-36(33)42(32-11-16-38(58-27(3)50)40(22-32)59-28(4)51)43(37)45(54)47-20-18-31-9-14-35(15-10-31)57-26(2)49/h7-16,21-24,42-43H,17-20H2,1-6H3,(H,46,53)(H,47,54)/t42-,43-/m1/s1
InChIKey LTAMMTYSKRDFJL-OCQXTOTRSA-N
Mol Weight 820.8 g/mol
Molecular Formula C45H44N2O13
Exact Mass 820.284339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2nkcpJiBLEo
Name CANNABISIN_C_PENTAACETATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H44N2O13
InChI InChI=1S/C45H44N2O13/c1-25(48)56-34-12-7-30(8-13-34)17-19-46-44(53)37-21-33-23-39(55-6)41(60-29(5)52)24-36(33)42(32-11-16-38(58-27(3)50)40(22-32)59-28(4)51)43(37)45(54)47-20-18-31-9-14-35(15-10-31)57-26(2)49/h7-16,21-24,42-43H,17-20H2,1-6H3,(H,46,53)(H,47,54)/t42-,43-/m1/s1
InChIKey LTAMMTYSKRDFJL-OCQXTOTRSA-N
Literature Reference Author I.SAKAKIBARA,Y.IKEYA,K.HAYASHI,H.MITSUHASHI
Literature Reference Citation PHYTOCHEM.,31,3219(1992)
Literature Reference DOI 10.1016/0031-9422(92)83479-I
Molecular Weight 820.850 g/mol
Solvent CDCl3
Source File Reference UWMZ21558