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CANNABISIN-A-HEXAACETATE

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CANNABISIN-A-HEXAACETATE
SpectraBase Compound ID 8R9zByKBP8B
InChI InChI=1S/C46H42N2O14/c1-25(49)57-35-12-7-31(8-13-35)17-19-47-45(55)38-21-34-23-41(61-29(5)53)42(62-30(6)54)24-37(34)43(33-11-16-39(59-27(3)51)40(22-33)60-28(4)52)44(38)46(56)48-20-18-32-9-14-36(15-10-32)58-26(2)50/h7-16,21-24H,17-20H2,1-6H3,(H,47,55)(H,48,56)
InChIKey YVMADEFVNORMIU-UHFFFAOYSA-N
Mol Weight 846.8 g/mol
Molecular Formula C46H42N2O14
Exact Mass 846.263604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XQtT3C5wCV
Name CANNABISIN-A-HEXAACETATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H42N2O14
InChI InChI=1S/C46H42N2O14/c1-25(49)57-35-12-7-31(8-13-35)17-19-47-45(55)38-21-34-23-41(61-29(5)53)42(62-30(6)54)24-37(34)43(33-11-16-39(59-27(3)51)40(22-33)60-28(4)52)44(38)46(56)48-20-18-32-9-14-36(15-10-32)58-26(2)50/h7-16,21-24H,17-20H2,1-6H3,(H,47,55)(H,48,56)
InChIKey YVMADEFVNORMIU-UHFFFAOYSA-N
Literature Reference Author I.SAKAKIBARA,T.KATSUHARA,Y.IKEYA,K.HAYASHI,H.MITSUHASHI
Literature Reference Citation PHYTOCHEM.,30,3013(1991)
Literature Reference DOI 10.1016/S0031-9422(00)98242-6
Molecular Weight 846.844 g/mol
Solvent DMSO-D6
Source File Reference UWVN30980