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26-O-BETA-D-GLUCOPYRANOSYL-22-O-METHYL-(25R)-5-ALPHA-FUROSTANE-2-ALPHA,3-BETA,22-XI,26-TETROL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOP
SpectraBase Compound ID 99XZlVHn3uy
InChI InChI=1S/C52H88O24/c1-20(19-68-46-40(63)38(61)35(58)30(16-53)71-46)9-12-52(67-6)21(2)33-29(76-52)14-26-24-8-7-23-13-28(27(56)15-51(23,5)25(24)10-11-50(26,33)4)70-49-45(75-47-41(64)37(60)34(57)22(3)69-47)43(66)44(32(18-55)73-49)74-48-42(65)39(62)36(59)31(17-54)72-48/h20-49,53-66H,7-19H2,1-6H3/t20-,21+,22-,23+,24?,25?,26?,27-,28-,29?,30+,31+,32+,33?,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48-,49+,50+,51+,52?/m1/s1
InChIKey CBITYXQPHKKIBT-SEMCSSJUSA-N
Mol Weight 1097.3 g/mol
Molecular Formula C52H88O24
Exact Mass 1096.566554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDnBzVRpuY4
Name 26-O-BETA-D-GLUCOPYRANOSYL-22-O-METHYL-(25R)-5-ALPHA-FUROSTANE-2-ALPHA,3-BETA,22-XI,26-TETROL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOP
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H88O24
InChI InChI=1S/C52H88O24/c1-20(19-68-46-40(63)38(61)35(58)30(16-53)71-46)9-12-52(67-6)21(2)33-29(76-52)14-26-24-8-7-23-13-28(27(56)15-51(23,5)25(24)10-11-50(26,33)4)70-49-45(75-47-41(64)37(60)34(57)22(3)69-47)43(66)44(32(18-55)73-49)74-48-42(65)39(62)36(59)31(17-54)72-48/h20-49,53-66H,7-19H2,1-6H3/t20-,21+,22-,23+,24?,25?,26?,27-,28-,29?,30+,31+,32+,33?,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48-,49+,50+,51+,52?/m1/s1
InChIKey CBITYXQPHKKIBT-SEMCSSJUSA-N
Literature Reference Author Y.MIMAKI,T.KANMOTO,M.KURODA,Y.SASHIDA,Y.SATOMI,A.NISHINO,H.N ISHINO
Literature Reference Citation PHYTOCHEM.,42,1065(1996)
Literature Reference DOI 10.1016/0031-9422(96)00030-1
Molecular Weight 1097.256 g/mol
Solvent C5D5N
Source File Reference UWVN2932