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CALYSOLIN_III;11-S-JALAPINOLIC_ACID_11-O-(3-O-2-S,3-S-NILOYL,4-O-TIGLOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYRANOSYL-
SpectraBase Compound ID CE8EJAznkFr
InChI InChI=1S/C66H110O30/c1-12-16-22-25-38-26-23-20-18-17-19-21-24-27-42(70)89-55-47(75)44(72)39(28-67)86-64(55)82-30-41-51(91-59(79)32(6)14-3)54(92-60(80)33(7)15-4)49(77)63(88-41)94-52-45(73)40(29-68)87-66(95-56-46(74)43(71)36(10)83-65(56)85-38)57(52)96-62-48(76)53(93-61(81)34(8)35(9)69)50(37(11)84-62)90-58(78)31(5)13-2/h13,32-41,43-57,62-69,71-77H,12,14-30H2,1-11H3/b31-13+/t32-,33-,34-,35-,36-,37+,38-,39-,40+,41+,43-,44-,45+,46+,47+,48-,49+,50+,51+,52-,53+,54+,55-,56-,57+,62+,63-,64-,65+,66-/m0/s1
InChIKey OBFQLSAPCYUFRB-BCUVSEPRSA-N
Mol Weight 1383.6 g/mol
Molecular Formula C66H110O30
Exact Mass 1382.708192 g/mol
Enantiomer InChIKey OBFQLSAPCYUFRB-GMPQNGCASA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Calysolins I–IV, Resin Glycosides from Calystegia soldanella Journal of Natural Products 2011
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