| SpectraBase Compound ID | 4dzQFdTPFsr |
|---|---|
| InChI | InChI=1S/C63H102O33/c1-23-44(92-51-43(81)45(29(70)18-85-51)93-55-48(82)62(84,21-66)22-88-55)39(77)42(80)52(89-23)94-46-34(72)28(69)17-86-54(46)96-56(83)63-11-10-57(2,3)12-25(63)24-8-9-32-58(4)13-27(68)49(59(5,20-65)47(58)26(67)14-61(32,7)60(24,6)15-33(63)71)95-53-41(79)38(76)36(74)31(91-53)19-87-50-40(78)37(75)35(73)30(16-64)90-50/h8,23,25-55,64-82,84H,9-22H2,1-7H3/t23?,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-,58+,59-,60+,61+,62+,63+/m0/s1 |
| InChIKey | LZPISZISNKRDJE-IIHTZXHZSA-N |
| Mol Weight | 1387.5 g/mol |
| Molecular Formula | C63H102O33 |
| Exact Mass | 1386.630337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8zJQtPfNRic |
|---|---|
| Name | ARGANINE-B;#2;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-BETA-D-A |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H102O33 |
| InChI | InChI=1S/C63H102O33/c1-23-44(92-51-43(81)45(29(70)18-85-51)93-55-48(82)62(84,21-66)22-88-55)39(77)42(80)52(89-23)94-46-34(72)28(69)17-86-54(46)96-56(83)63-11-10-57(2,3)12-25(63)24-8-9-32-58(4)13-27(68)49(59(5,20-65)47(58)26(67)14-61(32,7)60(24,6)15-33(63)71)95-53-41(79)38(76)36(74)31(91-53)19-87-50-40(78)37(75)35(73)30(16-64)90-50/h8,23,25-55,64-82,84H,9-22H2,1-7H3/t23?,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-,58+,59-,60+,61+,62+,63+/m0/s1 |
| InChIKey | LZPISZISNKRDJE-IIHTZXHZSA-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 | 1387.483 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN6127 |
| SpectraBase Batch ID | KmXW7aRNtxi |