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BEAJFYKIOOQNTB-SVBZNTJXSA-N
SpectraBase Compound ID 7fkvDv4UHhX
InChI InChI=1S/C64H98O25/c1-31-53(86-47-27-40(76-9)54(32(2)80-47)87-48-28-41(77-10)55(33(3)81-48)88-59-52(71)57(78-11)56(34(4)82-59)89-58-51(70)50(69)49(68)42(30-65)84-58)39(75-8)26-46(79-31)83-38-20-21-60(6)37(25-38)19-22-63(73)43(60)29-44(85-45(67)18-17-36-15-13-12-14-16-36)61(7)62(72,35(5)66)23-24-64(61,63)74/h12-19,31-35,38-44,46-59,65-66,68-74H,20-30H2,1-11H3/b18-17+/t31-,32+,33-,34+,35-,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+,64-/m1/s1
InChIKey BEAJFYKIOOQNTB-SVBZNTJXSA-N
Mol Weight 1267.5 g/mol
Molecular Formula C64H98O25
Exact Mass 1266.639719 g/mol
Enantiomer InChIKey BEAJFYKIOOQNTB-WYLJTVBGSA-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 Marsdenia tomentosa. Chemical and Pharmaceutical Bulletin 1999

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