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IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)
SpectraBase Compound ID 9JuvKWdCZJG
InChI InChI=1S/C63H94O23/c1-31(65)39-20-23-63(72)61(39,7)46(82-47(67)17-16-36-14-12-11-13-15-36)29-45-60(6)21-19-38(24-37(60)18-22-62(45,63)71)80-49-26-41(73-8)57(33(3)77-49)85-51-27-42(74-9)56(34(4)78-51)84-48-25-40(66)55(32(2)76-48)83-50-28-43(75-10)58(35(5)79-50)86-59-54(70)53(69)52(68)44(30-64)81-59/h11-18,32-35,38-46,48-59,64,66,68-72H,19-30H2,1-10H3/b17-16+/t32-,33+,34-,35-,38-,39-,40+,41-,42-,43-,44+,45+,46+,48+,49-,50+,51+,52+,53-,54+,55-,56-,57+,58-,59-,60-,61-,62-,63+/m0/s1
InChIKey DPAYTQIJDAFEAB-IQUIRJSESA-N
Mol Weight 1219.4 g/mol
Molecular Formula C63H94O23
Exact Mass 1218.618589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KsyTLRZ6Jh2
Name IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H94O23
InChI InChI=1S/C63H94O23/c1-31(65)39-20-23-63(72)61(39,7)46(82-47(67)17-16-36-14-12-11-13-15-36)29-45-60(6)21-19-38(24-37(60)18-22-62(45,63)71)80-49-26-41(73-8)57(33(3)77-49)85-51-27-42(74-9)56(34(4)78-51)84-48-25-40(66)55(32(2)76-48)83-50-28-43(75-10)58(35(5)79-50)86-59-54(70)53(69)52(68)44(30-64)81-59/h11-18,32-35,38-46,48-59,64,66,68-72H,19-30H2,1-10H3/b17-16+/t32-,33+,34-,35-,38-,39-,40+,41-,42-,43-,44+,45+,46+,48+,49-,50+,51+,52+,53-,54+,55-,56-,57+,58-,59-,60-,61-,62-,63+/m0/s1
InChIKey DPAYTQIJDAFEAB-IQUIRJSESA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation CHEM.PHARM.BULL.,48,516(2000)
Literature Reference DOI 10.1248/cpb.48.516
Molecular Weight 1219.426 g/mol
Solvent C5D5N
Source File Reference UWLU5046