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SMILAGENIN-3-O-BETA-D-GLUCOPYRANOSID-TETRAACETAT
SpectraBase Compound ID CLb4rKeglpu
InChI InChI=1S/C41H62O12/c1-21-11-16-41(47-19-21)22(2)34-32(53-41)18-31-29-10-9-27-17-28(12-14-39(27,7)30(29)13-15-40(31,34)8)51-38-37(50-26(6)45)36(49-25(5)44)35(48-24(4)43)33(52-38)20-46-23(3)42/h21-22,27-38H,9-20H2,1-8H3/t21-,22-,27+,28-,29+,30-,31-,32-,33+,34-,35+,36-,37+,38+,39-,40-,41+/m0/s1
InChIKey HQTSFQOSFUBDPX-LCWZBRLDSA-N
Mol Weight 746.9 g/mol
Molecular Formula C41H62O12
Exact Mass 746.424127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7X2icHEmnNt
Name SMILAGENIN-3-O-BETA-D-GLUCOPYRANOSID-TETRAACETAT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H62O12
InChI InChI=1S/C41H62O12/c1-21-11-16-41(47-19-21)22(2)34-32(53-41)18-31-29-10-9-27-17-28(12-14-39(27,7)30(29)13-15-40(31,34)8)51-38-37(50-26(6)45)36(49-25(5)44)35(48-24(4)43)33(52-38)20-46-23(3)42/h21-22,27-38H,9-20H2,1-8H3/t21-,22-,27+,28-,29+,30-,31-,32-,33+,34-,35+,36-,37+,38+,39-,40-,41+/m0/s1
InChIKey HQTSFQOSFUBDPX-LCWZBRLDSA-N
Literature Reference Author P.K.AGRAWAL,D.C.JAIN,R.K.GUPTA,R.S.THAKUR
Literature Reference Citation PHYTOCHEM.,24,2479(1985)
Literature Reference DOI 10.1016/S0031-9422(00)80653-6
Molecular Weight 746.936 g/mol
Solvent CDCl3
Source File Reference UNIW17171