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HMQKNHSZZMBJGE-CWVFABCWSA-N
SpectraBase Compound ID 2jpcGddZmgE
InChI InChI=1S/C50H88N4O13/c1-7-12-13-20-24-28-39(53(49(59)63-10-4)51-47(57)61-8-2)29-26-30-40(54(50(60)64-11-5)52-48(58)62-9-3)42-32-34-44(66-42)45-35-33-43(67-45)41(55)31-25-22-19-17-15-14-16-18-21-23-27-38-36-37(6)65-46(38)56/h36-37,39-45,55H,7-35H2,1-6H3,(H,51,57)(H,52,58)/t37-,39-,40+,41+,42+,43-,44+,45-/m0/s1
InChIKey HMQKNHSZZMBJGE-CWVFABCWSA-N
Mol Weight 953.3 g/mol
Molecular Formula C50H88N4O13
Exact Mass 952.634789 g/mol
Enantiomer InChIKey HMQKNHSZZMBJGE-WXVRMHFDSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Biogenetic Relationships between Annonaceous Acetogenins:  Squamocin Is Not a Precursor of Chamuvarinin Based on a Semisynthetic Study Journal of Natural Products 2007

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