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#3;CARATUBERISIDE-E;12-O-BENZOYL-20-O-ACETYL-3-BETA,5-ALPHA,12-BETA,14-BETA,20-BETA-PENTAHYDROXY-20S-PREGN-6-ENE-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)
SpectraBase Compound ID 79UPGhK8hu9
InChI InChI=1S/C51H76O17/c1-26(61-30(5)52)33-18-21-51(57)34-17-20-50(56)25-32(16-19-48(50,6)35(34)22-38(49(33,51)7)66-46(55)31-14-12-11-13-15-31)65-39-23-36(58-8)43(28(3)62-39)67-40-24-37(59-9)44(29(4)63-40)68-47-42(54)45(60-10)41(53)27(2)64-47/h11-15,17,20,26-29,32-45,47,53-54,56-57H,16,18-19,21-25H2,1-10H3/t26-,27+,28-,29-,32-,33+,34+,35-,36+,37+,38+,39-,40+,41+,42+,43+,44-,45+,47-,48+,49-,50+,51-/m0/s1
InChIKey OGBBARCOZOAUDX-OZRGOHPYSA-N
Mol Weight 961.2 g/mol
Molecular Formula C51H76O17
Exact Mass 960.508251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbmTCz8pBeE
Name #3;CARATUBERISIDE-E;12-O-BENZOYL-20-O-ACETYL-3-BETA,5-ALPHA,12-BETA,14-BETA,20-BETA-PENTAHYDROXY-20S-PREGN-6-ENE-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H76O17
InChI InChI=1S/C51H76O17/c1-26(61-30(5)52)33-18-21-51(57)34-17-20-50(56)25-32(16-19-48(50,6)35(34)22-38(49(33,51)7)66-46(55)31-14-12-11-13-15-31)65-39-23-36(58-8)43(28(3)62-39)67-40-24-37(59-9)44(29(4)63-40)68-47-42(54)45(60-10)41(53)27(2)64-47/h11-15,17,20,26-29,32-45,47,53-54,56-57H,16,18-19,21-25H2,1-10H3/t26-,27+,28-,29-,32-,33+,34+,35-,36+,37+,38+,39-,40+,41+,42+,43+,44-,45+,47-,48+,49-,50+,51-/m0/s1
InChIKey OGBBARCOZOAUDX-OZRGOHPYSA-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 961.154 g/mol
Sample ID 63195
Solvent CD3OD