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ARGANINE-A;#1;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-2-BETA-3-BETA,6-BETA,16-ALPHA,23-PENTAHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-
SpectraBase Compound ID 9yNSpsNz4RA
InChI InChI=1S/C64H104O33/c1-22-34(72)38(76)43(81)54(89-22)94-48-29(70)19-86-53(46(48)84)93-47-23(2)90-55(45(83)41(47)79)95-49-35(73)28(69)18-87-57(49)97-58(85)64-12-11-59(3,4)13-25(64)24-9-10-32-60(5)14-27(68)51(61(6,21-66)50(60)26(67)15-63(32,8)62(24,7)16-33(64)71)96-56-44(82)40(78)37(75)31(92-56)20-88-52-42(80)39(77)36(74)30(17-65)91-52/h9,22-23,25-57,65-84H,10-21H2,1-8H3/t22?,23?,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+,53-,54-,55-,56-,57-,60+,61-,62+,63+,64+/m0/s1
InChIKey SSUZWBCHVFWOCW-OPQMMVSWSA-N
Mol Weight 1401.5 g/mol
Molecular Formula C64H104O33
Exact Mass 1400.645986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBfNe2IbHJL
Name ARGANINE-A;#1;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-2-BETA-3-BETA,6-BETA,16-ALPHA,23-PENTAHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H104O33
InChI InChI=1S/C64H104O33/c1-22-34(72)38(76)43(81)54(89-22)94-48-29(70)19-86-53(46(48)84)93-47-23(2)90-55(45(83)41(47)79)95-49-35(73)28(69)18-87-57(49)97-58(85)64-12-11-59(3,4)13-25(64)24-9-10-32-60(5)14-27(68)51(61(6,21-66)50(60)26(67)15-63(32,8)62(24,7)16-33(64)71)96-56-44(82)40(78)37(75)31(92-56)20-88-52-42(80)39(77)36(74)30(17-65)91-52/h9,22-23,25-57,65-84H,10-21H2,1-8H3/t22?,23?,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+,53-,54-,55-,56-,57-,60+,61-,62+,63+,64+/m0/s1
InChIKey SSUZWBCHVFWOCW-OPQMMVSWSA-N
Literature Reference Author Z.CHARROUF,J.M.WIERUSZESKI,S.FKIH-TETOUANI,Y.LEROY,M.CHARROU F,B.FOURNET
Literature Reference Citation PHYTOCHEM.,31,2079(1992)
Literature Reference DOI 10.1016/0031-9422(92)80367-N
Molecular Weight 1401.510 g/mol
Solvent Unknown
Source File Reference UWVN6126