| SpectraBase Compound ID | LN7MneucVyI |
|---|---|
| InChI | InChI=1S/C46H74O20S/c1-21(2)14-22-15-44(7,54)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,65-22)59-20-45)62-40-36(64-38-32(52)30(50)25(16-47)60-38)34(24(49)18-58-40)63-39-33(53)31(51)35(26(17-48)61-39)66-67(55,56)57/h14,22-40,47-54H,8-13,15-20H2,1-7H3,(H,55,56,57)/p-1/t22-,23?,24-,25-,26+,27?,28?,29-,30-,31+,32+,33+,34-,35+,36+,37?,38-,39-,40-,42-,43+,44-,45-,46-/m0/s1 |
| InChIKey | NHGIBGKFDAJPJS-OLGGKUIYSA-M |
| Mol Weight | 978.1 g/mol |
| Molecular Formula | C46H73O20S |
| Exact Mass | 977.441591 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GAHjH9iO6kB |
|---|---|
| Name | JUJUBOGENIN-3-O-ALPHA-L-ARABINO-FURANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSIDE-4'''-O-SULFATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H73O20S |
| InChI | InChI=1S/C46H74O20S/c1-21(2)14-22-15-44(7,54)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,65-22)59-20-45)62-40-36(64-38-32(52)30(50)25(16-47)60-38)34(24(49)18-58-40)63-39-33(53)31(51)35(26(17-48)61-39)66-67(55,56)57/h14,22-40,47-54H,8-13,15-20H2,1-7H3,(H,55,56,57)/p-1/t22-,23?,24-,25-,26+,27?,28?,29-,30-,31+,32+,33+,34-,35+,36+,37?,38-,39-,40-,42-,43+,44-,45-,46-/m0/s1 |
| InChIKey | NHGIBGKFDAJPJS-OLGGKUIYSA-M |
| Literature Reference Author | R.HIGUCHI,S.KUBOTA,T.KOMORI,T.KAWASAKI,V.B.PANDEY,J.P.SINGH, A.H.SHAH |
| Literature Reference Citation | PHYTOCHEM.,23,2597(1984) |
| Literature Reference DOI | 10.1016/S0031-9422(00)84106-0 |
| Molecular Weight | 978.134 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK589 |