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LINEOLON-3-O-BETA-OLEANDROPYRANOSYL-(1->4)-BETA-DIGITOXOPYRANOSYL-(1->4)-BETA-OLIVOPYRANOSYL-(1->4)-BETA-DIGITOXOPYRANOSIDE
SpectraBase Compound ID G1MGfHHewiO
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-QIQAOSNPSA-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 6VWhs1Rdbvj
Name LINEOLON-3-O-BETA-OLEANDROPYRANOSYL-(1->4)-BETA-DIGITOXOPYRANOSYL-(1->4)-BETA-OLIVOPYRANOSYL-(1->4)-BETA-DIGITOXOPYRANOSIDE
Compound Number 2
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-QIQAOSNPSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation PHYTOCHEM.,37,217(1994)
Literature Reference DOI 10.1016/0031-9422(94)85029-1
Molecular Weight 899.083 g/mol
Solvent CDCl3
Source File Reference UWLU23046