| SpectraBase Compound ID | 5PsZCJM02Th |
|---|---|
| InChI | InChI=1S/C61H100O32/c1-22(18-82-55-48(79)44(75)41(72)36(90-55)21-85-54-46(77)38(69)31(67)19-83-54)5-8-29(65)23(2)37-30(66)14-28-26-7-6-24-13-25(9-11-60(24,3)27(26)10-12-61(28,37)4)86-57-50(81)45(76)51(35(17-64)89-57)91-59-53(93-58-49(80)43(74)40(71)33(15-62)87-58)52(42(73)34(16-63)88-59)92-56-47(78)39(70)32(68)20-84-56/h22-28,31-59,62-64,67-81H,5-21H2,1-4H3/t22-,23+,24-,25-,26+,27-,28-,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+,58+,59+,60-,61-/m0/s1 |
| InChIKey | SUPSAMPHCLDXNW-QKQNTCEQSA-N |
| Mol Weight | 1345.4 g/mol |
| Molecular Formula | C61H100O32 |
| Exact Mass | 1344.619771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKSaLVFwlRX |
|---|---|
| Name | 3-O-BETA-LYCOTETRAOSYL-3-BETA,26-DIHYDROXY-CHOLESTAN-16,22-DIONE-26-O-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H100O32 |
| InChI | InChI=1S/C61H100O32/c1-22(18-82-55-48(79)44(75)41(72)36(90-55)21-85-54-46(77)38(69)31(67)19-83-54)5-8-29(65)23(2)37-30(66)14-28-26-7-6-24-13-25(9-11-60(24,3)27(26)10-12-61(28,37)4)86-57-50(81)45(76)51(35(17-64)89-57)91-59-53(93-58-49(80)43(74)40(71)33(15-62)87-58)52(42(73)34(16-63)88-59)92-56-47(78)39(70)32(68)20-84-56/h22-28,31-59,62-64,67-81H,5-21H2,1-4H3/t22-,23+,24-,25-,26+,27-,28-,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+,58+,59+,60-,61-/m0/s1 |
| InChIKey | SUPSAMPHCLDXNW-QKQNTCEQSA-N |
| Literature Reference Author | M.ONO,Y.SHIONO,Y.YANAI,Y.FUJIWARA,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1499(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1499 |
| Molecular Weight | 1345.446 g/mol |
| Sample ID | 2339 |
| Solvent | C5D5N |