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SYRIACOSIDE-O
SpectraBase Compound ID 9gwz15YZHdh
InChI InChI=1S/C63H96O23/c1-31(65)39-20-23-63(72)61(39,7)46(82-47(67)17-16-36-14-12-11-13-15-36)29-45-60(6)21-19-38(24-37(60)18-22-62(45,63)71)80-49-26-41(73-8)56(33(3)77-49)84-48-25-40(66)55(32(2)76-48)83-50-27-42(74-9)57(34(4)78-50)85-51-28-43(75-10)58(35(5)79-51)86-59-54(70)53(69)52(68)44(30-64)81-59/h11-17,32-35,37-46,48-59,64,66,68-72H,18-30H2,1-10H3/b17-16+/t32-,33+,34+,35-,37?,38-,39-,40+,41-,42-,43+,44+,45+,46+,48+,49-,50-,51+,52+,53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63+/m0/s1
InChIKey ZQXPDOCOTKWLCK-OEOHCJPVSA-N
Mol Weight 1221.4 g/mol
Molecular Formula C63H96O23
Exact Mass 1220.634239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NyuNK2Zgy9
Name SYRIACOSIDE-O
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H96O23
InChI InChI=1S/C63H96O23/c1-31(65)39-20-23-63(72)61(39,7)46(82-47(67)17-16-36-14-12-11-13-15-36)29-45-60(6)21-19-38(24-37(60)18-22-62(45,63)71)80-49-26-41(73-8)56(33(3)77-49)84-48-25-40(66)55(32(2)76-48)83-50-27-42(74-9)57(34(4)78-50)85-51-28-43(75-10)58(35(5)79-51)86-59-54(70)53(69)52(68)44(30-64)81-59/h11-17,32-35,37-46,48-59,64,66,68-72H,18-30H2,1-10H3/b17-16+/t32-,33+,34+,35-,37?,38-,39-,40+,41-,42-,43+,44+,45+,46+,48+,49-,50-,51+,52+,53-,54+,55-,56+,57+,58-,59-,60-,61-,62-,63+/m0/s1
InChIKey ZQXPDOCOTKWLCK-OEOHCJPVSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation CHEM.PHARM.BULL.,57,177(2009)
Literature Reference DOI 10.1248/cpb.57.177
Molecular Weight 1221.441 g/mol
Sample ID 2252
Solvent C5D5N