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LINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE
SpectraBase Compound ID 3LFGukP3kq5
InChI InChI=1S/C46H74O17/c1-21(47)28-11-14-46(54)44(28,7)34(51)20-33-43(6)12-10-27(15-26(43)9-13-45(33,46)53)60-35-16-29(48)40(23(3)57-35)61-36-17-30(49)41(24(4)58-36)62-37-18-31(50)42(25(5)59-37)63-38-19-32(55-8)39(52)22(2)56-38/h9,22-25,27-42,48-54H,10-20H2,1-8H3/t22-,23-,24-,25-,27-,28-,29+,30+,31+,32-,33+,34?,35+,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
InChIKey HDALOXNSTLWULY-QUYNZHHCSA-N
Mol Weight 899.1 g/mol
Molecular Formula C46H74O17
Exact Mass 898.492601 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43SNOJOyDnL
Name LINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H74O17
InChI InChI=1S/C46H74O17/c1-21(47)28-11-14-46(54)44(28,7)34(51)20-33-43(6)12-10-27(15-26(43)9-13-45(33,46)53)60-35-16-29(48)40(23(3)57-35)61-36-17-30(49)41(24(4)58-36)62-37-18-31(50)42(25(5)59-37)63-38-19-32(55-8)39(52)22(2)56-38/h9,22-25,27-42,48-54H,10-20H2,1-8H3/t22-,23-,24-,25-,27-,28-,29+,30+,31+,32-,33+,34?,35+,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
InChIKey HDALOXNSTLWULY-QUYNZHHCSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation PHYTOCHEM.,53,485(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00560-9
Molecular Weight 899.083 g/mol
Solvent C5D5N
Source File Reference UWLU2037