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DIGITOXIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]
SpectraBase Compound ID CsKKQtU9ogz
InChI InChI=1S/C49H78O20/c1-22-43(68-36-18-31(60-6)44(23(2)64-36)69-46-42(57)40(55)38(53)33(67-46)21-62-45-41(56)39(54)37(52)32(19-50)66-45)30(59-5)17-35(63-22)65-26-9-12-47(3)25(16-26)7-8-29-28(47)10-13-48(4)27(11-14-49(29,48)58)24-15-34(51)61-20-24/h15,22-23,25-33,35-46,50,52-58H,7-14,16-21H2,1-6H3/t22-,23+,25-,26+,27-,28?,29?,30+,31-,32-,33-,35+,36-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46+,47+,48-,49+/m1/s1
InChIKey KBWBGIZHMVJQDH-WRZQACLGSA-N
Mol Weight 987.1 g/mol
Molecular Formula C49H78O20
Exact Mass 986.508645 g/mol
Enantiomer InChIKey KBWBGIZHMVJQDH-JRAVFHSISA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Title Journal or Book Year
Cardenolide glycosides from the roots of mandevilla pentlandiana Phytochemistry 1993
Unknown Identification

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