| SpectraBase Compound ID | 6hlqweLUsXK |
|---|---|
| InChI | InChI=1S/C46H74O17/c1-21(2)14-22-15-44(7,55)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,63-22)57-20-45)60-40-36(62-38-33(53)31(51)26(17-48)59-38)35(24(49)18-56-40)61-39-34(54)32(52)30(50)25(16-47)58-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3/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 | RANQPHKSRUUPKK-HILWFPMESA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C46H74O17 |
| Exact Mass | 898.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmrQ3XIq9QY |
|---|---|
| Name | JUJUBOGENIN-3-O-ALPHA-L-ARABINOFURANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O17 |
| InChI | InChI=1S/C46H74O17/c1-21(2)14-22-15-44(7,55)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,63-22)57-20-45)60-40-36(62-38-33(53)31(51)26(17-48)59-38)35(24(49)18-56-40)61-39-34(54)32(52)30(50)25(16-47)58-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3/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 | RANQPHKSRUUPKK-HILWFPMESA-N |
| Literature Reference Author | X.C.LI,H.N.ELSOHLY,A.C.NIMROD,A.M.CLARK |
| Literature Reference Citation | J.NAT.PROD.,62,674(1999) |
| Literature Reference DOI | 10.1021/np9803169 |
| Molecular Weight | 899.083 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP7835 |