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N-ACETYLMYCOHEPTIN-A2-METHYLESTER;COMPOUN-#1
SpectraBase Compound ID EmYUZsL4iLL
InChI InChI=1S/C50H75NO18/c1-29-19-17-15-13-11-9-7-8-10-12-14-16-18-20-37(68-49-47(62)44(51-33(5)52)46(61)32(4)67-49)26-41-43(48(63)65-6)40(58)28-50(64,69-41)27-39(57)38(56)22-21-34(53)23-35(54)24-36(55)25-42(59)66-31(3)30(2)45(29)60/h7-20,29-32,34,36-41,43-47,49,53,55-58,60-62,64H,21-28H2,1-6H3,(H,51,52)/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t29-,30+,31+,32-,34-,36?,37?,38-,39-,40-,41-,43-,44+,45+,46-,47+,49+,50+/m0/s1
InChIKey MKPQDUDRQIMZDK-ZYJJIDIASA-N
Mol Weight 978.1 g/mol
Molecular Formula C50H75NO18
Exact Mass 977.498415 g/mol
Enantiomer InChIKey MKPQDUDRQIMZDK-QNASZMMVSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N:CD3OD=9:1
Title Journal or Book Year
Stereostructure of mycoheptin A2 Magnetic Resonance in Chemistry 2012

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