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#5;CARATUBERISIDE-G;12,20-DIBENZOYL-3-BETA,12-BETA,14-BETA,20-BETA-TETRAHYDROXY-20S-PREGN-5-ENE-BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRA
SpectraBase Compound ID KFqQMBnbaQk
InChI InChI=1S/C62H88O21/c1-31(76-56(68)35-16-12-10-13-17-35)39-23-25-62(70)40-21-20-37-26-38(22-24-60(37,5)41(40)27-45(61(39,62)6)80-57(69)36-18-14-11-15-19-36)78-46-28-42(71-7)52(32(2)74-46)81-47-29-43(72-8)53(33(3)75-47)82-59-51(67)55(73-9)54(34(4)77-59)83-58-50(66)49(65)48(64)44(30-63)79-58/h10-20,31-34,38-55,58-59,63-67,70H,21-30H2,1-9H3/t31-,32-,33-,34+,38-,39+,40+,41-,42+,43+,44-,45+,46-,47+,48-,49+,50-,51+,52+,53-,54+,55-,58+,59-,60-,61-,62-/m0/s1
InChIKey SXTZIDNXMZXWCP-BPEROLSLSA-N
Mol Weight 1169.4 g/mol
Molecular Formula C62H88O21
Exact Mass 1168.58181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AuyvDpeIuzr
Name #5;CARATUBERISIDE-G;12,20-DIBENZOYL-3-BETA,12-BETA,14-BETA,20-BETA-TETRAHYDROXY-20S-PREGN-5-ENE-BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H88O21
InChI InChI=1S/C62H88O21/c1-31(76-56(68)35-16-12-10-13-17-35)39-23-25-62(70)40-21-20-37-26-38(22-24-60(37,5)41(40)27-45(61(39,62)6)80-57(69)36-18-14-11-15-19-36)78-46-28-42(71-7)52(32(2)74-46)81-47-29-43(72-8)53(33(3)75-47)82-59-51(67)55(73-9)54(34(4)77-59)83-58-50(66)49(65)48(64)44(30-63)79-58/h10-20,31-34,38-55,58-59,63-67,70H,21-30H2,1-9H3/t31-,32-,33-,34+,38-,39+,40+,41-,42+,43+,44-,45+,46-,47+,48-,49+,50-,51+,52+,53-,54+,55-,58+,59-,60-,61-,62-/m0/s1
InChIKey SXTZIDNXMZXWCP-BPEROLSLSA-N
Literature Reference Author E.ABDEL-SATTAR,F.M.HARRAZ,S.M.A.AL-ANSARI,S.EL-MEKKAWY,C.ICH INO,H.KIYOHARA,A.ISH
Literature Reference Citation PHYTOCHEM.,69,2180(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.05.017
Molecular Weight 1169.368 g/mol
Sample ID 63197
Solvent CD3OD