| SpectraBase Compound ID | ppXWPBt5YW |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-37(2)11-13-42(36(53)57-35-32(30(50)28(48)24(18-44)55-35)56-34-31(51)29(49)27(47)23(17-43)54-34)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(52)39(4,19-45)25(38)9-10-41(26,40)6/h7,21-35,43-52H,8-19H2,1-6H3/t21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | LJQIHQMJTOBXBU-QDZACNFGSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H68O15 |
| Exact Mass | 812.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EYfwjdhv2lY |
|---|---|
| Name | ASTERYUNNANOSIDE-B;2-ALPHA,3-BETA,23-TRIHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O15 |
| InChI | InChI=1S/C42H68O15/c1-37(2)11-13-42(36(53)57-35-32(30(50)28(48)24(18-44)55-35)56-34-31(51)29(49)27(47)23(17-43)54-34)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(52)39(4,19-45)25(38)9-10-41(26,40)6/h7,21-35,43-52H,8-19H2,1-6H3/t21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | LJQIHQMJTOBXBU-QDZACNFGSA-N |
| Literature Reference Author | Y.SHAO,B.N.ZHOU,L.Z.LIN,G.A.CORDELL |
| Literature Reference Citation | PHYTOCHEM.,38,1487(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00794-T |
| Molecular Weight | 812.993 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4064 |