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BARRINGTOSIDE-B;#2';BARRIGTOGENOL-C-21-O-TIGLOYL-28-O-ISOBUTYRYL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSIDE-ME
SpectraBase Compound ID 2KggMr0QKTM
InChI InChI=1S/C57H90O22/c1-13-26(4)47(69)79-45-44(67)57(24-73-46(68)25(2)3)28(20-52(45,5)6)27-14-15-32-54(9)18-17-34(53(7,8)31(54)16-19-55(32,10)56(27,11)21-33(57)60)75-51-43(78-50-39(65)37(63)36(62)30(22-58)74-50)41(40(66)42(77-51)48(70)71-12)76-49-38(64)35(61)29(59)23-72-49/h13-14,25,28-45,49-51,58-67H,15-24H2,1-12H3/b26-13+/t28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42-,43+,44-,45-,49-,50+,51+,54-,55+,56+,57-/m0/s1
InChIKey HYBUXDWPVSQEKZ-OESMMHCYSA-N
Mol Weight 1127.3 g/mol
Molecular Formula C57H90O22
Exact Mass 1126.592375 g/mol
Enantiomer InChIKey HYBUXDWPVSQEKZ-XKXDYOOHSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Saponins from Barringtonia acutangula Phytochemistry 1994
Unknown Identification

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