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#3;3-BETA,16-BETA,17-ALPHA-TRIHYDROXYCHOLEST-5-EN-22-ONE-16-O-[2-O-3,4-DIMETHOXYBENZOYL-BETA-D-XYLOPYRANOSYL-(1->3)]-(2-O-ACETYL-ALPHA-L-ARABINOPYRANOSIDE)
SpectraBase Compound ID Ev4GDOiNn1N
InChI InChI=1S/C48H70O16/c1-24(2)9-13-33(51)25(3)48(56)38(21-32-30-12-11-28-20-29(50)15-17-46(28,5)31(30)16-18-47(32,48)6)62-45-42(61-26(4)49)40(35(53)23-60-45)64-44-41(39(54)34(52)22-59-44)63-43(55)27-10-14-36(57-7)37(19-27)58-8/h10-11,14,19,24-25,29-32,34-35,38-42,44-45,50,52-54,56H,9,12-13,15-18,20-23H2,1-8H3/t25-,29-,30+,31-,32-,34+,35-,38-,39-,40-,41+,42+,44-,45-,46-,47-,48+/m0/s1
InChIKey KQJXNSWVFJLYMH-ANNLHUPLSA-N
Mol Weight 903.1 g/mol
Molecular Formula C48H70O16
Exact Mass 902.466386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZvOZZGThGd
Name #3;3-BETA,16-BETA,17-ALPHA-TRIHYDROXYCHOLEST-5-EN-22-ONE-16-O-[2-O-3,4-DIMETHOXYBENZOYL-BETA-D-XYLOPYRANOSYL-(1->3)]-(2-O-ACETYL-ALPHA-L-ARABINOPYRANOSIDE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H70O16
InChI InChI=1S/C48H70O16/c1-24(2)9-13-33(51)25(3)48(56)38(21-32-30-12-11-28-20-29(50)15-17-46(28,5)31(30)16-18-47(32,48)6)62-45-42(61-26(4)49)40(35(53)23-60-45)64-44-41(39(54)34(52)22-59-44)63-43(55)27-10-14-36(57-7)37(19-27)58-8/h10-11,14,19,24-25,29-32,34-35,38-42,44-45,50,52-54,56H,9,12-13,15-18,20-23H2,1-8H3/t25-,29-,30+,31-,32-,34+,35-,38-,39-,40-,41+,42+,44-,45-,46-,47-,48+/m0/s1
InChIKey KQJXNSWVFJLYMH-ANNLHUPLSA-N
Literature Reference Author S.KUBO,Y.MIMAKI,M.TERAO,Y.SASHIDA,T.NIKAIDO,T.OHMOTO
Literature Reference Citation PHYTOCHEM.,31,3969(1992)
Literature Reference DOI 10.1016/S0031-9422(00)97565-4
Molecular Weight 903.074 g/mol
Solvent C5D5N
Source File Reference UWLU28862