| SpectraBase Compound ID | IANkGWit2TR |
|---|---|
| InChI | InChI=1S/C42H68O14/c1-20-27(46)29(48)31(50)34(53-20)55-32-30(49)28(47)24(18-43)54-35(32)56-36(52)42-14-12-37(2,3)16-22(42)21-8-9-26-38(4)17-23(45)33(51)39(5,19-44)25(38)10-11-41(26,7)40(21,6)13-15-42/h8,20,22-35,43-51H,9-19H2,1-7H3/t20-,22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | SMYVZEBNIRGQQK-WHNIIESBSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C42H68O14 |
| Exact Mass | 796.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eTGPrTPXSa |
|---|---|
| Name | ASTERYUNNANOSIDE-A;2-ALPHA,3-BETA,23-TRIHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O14 |
| InChI | InChI=1S/C42H68O14/c1-20-27(46)29(48)31(50)34(53-20)55-32-30(49)28(47)24(18-43)54-35(32)56-36(52)42-14-12-37(2,3)16-22(42)21-8-9-26-38(4)17-23(45)33(51)39(5,19-44)25(38)10-11-41(26,7)40(21,6)13-15-42/h8,20,22-35,43-51H,9-19H2,1-7H3/t20-,22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | SMYVZEBNIRGQQK-WHNIIESBSA-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 | 796.994 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4063 |