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IKEMAGENIN-3-O-BETA-CELLOBIOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE
SpectraBase Compound ID 1TksfF0Jqid
InChI InChI=1S/C63H94O25/c1-30(66)37-19-22-63(74)61(37,6)44(84-45(67)16-15-34-13-11-10-12-14-34)27-43-60(5)20-18-36(23-35(60)17-21-62(43,63)73)81-46-24-38(75-7)54(31(2)78-46)85-47-25-39(76-8)55(32(3)79-47)86-48-26-40(77-9)56(33(4)80-48)87-59-53(72)51(70)57(42(29-65)83-59)88-58-52(71)50(69)49(68)41(28-64)82-58/h10-17,31-33,36-44,46-59,64-65,68-74H,18-29H2,1-9H3/b16-15+/t31-,32+,33-,36+,37+,38+,39-,40-,41-,42+,43-,44-,46+,47-,48+,49-,50+,51+,52-,53+,54-,55+,56-,57+,58+,59-,60+,61+,62+,63-/m1/s1
InChIKey BHNSNEIANOWKJE-SSYXHIKJSA-N
Mol Weight 1251.4 g/mol
Molecular Formula C63H94O25
Exact Mass 1250.608419 g/mol
Enantiomer InChIKey BHNSNEIANOWKJE-AFRAOXDCSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Pregnane Glycosides from the Roots of Asclepias tuberosd. Chemical and Pharmaceutical Bulletin 2000

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