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IRISTECTORONE-H
SpectraBase Compound ID Ic6QxeYs6EK
InChI InChI=1S/C70H114O8/c1-9-11-13-15-17-19-21-23-24-25-27-29-31-33-35-42-65(73)78-48-38-41-61-59(56(6)53-71)43-46-68(7,76)70(61)47-44-60(66(70)74)57-50-58(49-55(5)40-37-39-54(3)4)69(62(51-57)63(72)52-64(77-8)67(69)75)45-36-34-32-30-28-26-22-20-18-16-14-12-10-2/h16,18,39,49-50,52-53,58,60-62,66,74,76H,9-15,17,19-38,40-48,51H2,1-8H3/b18-16-,55-49+,59-56+/t58-,60-,61+,62+,66+,68-,69+,70-/m0/s1
InChIKey CKKUBPSGUNCJFT-HXPHEVGVSA-N
Mol Weight 1083.7 g/mol
Molecular Formula C70H114O8
Exact Mass 1082.851371 g/mol
Enantiomer InChIKey CKKUBPSGUNCJFT-NFHWRNEHSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Iristectorones A-H, spirotriterpene-quinone adducts from Iris tectorum Phytochemistry 1994

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