| SpectraBase Compound ID | 5HgNzdpRPuT |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-37(2)11-13-42(36(53)57-35-32(52)30(50)28(48)24(18-44)55-35)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)56-34-31(51)29(49)27(47)23(17-43)54-34/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 | ZUILGDNVKPMVIA-QCIBVTQJSA-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 | JDNw4SHIV0s |
|---|---|
| Name | ASTERBATANOSIDE-C;3-O-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| 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(52)30(50)28(48)24(18-44)55-35)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)56-34-31(51)29(49)27(47)23(17-43)54-34/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 | ZUILGDNVKPMVIA-QCIBVTQJSA-N |
| Literature Reference Author | Y.SHAO,Y.L.LI,B.N.ZHOU |
| Literature Reference Citation | PHYTOCHEM.,41,1593(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00219-7 |
| Molecular Weight | 812.993 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4481 |