| SpectraBase Compound ID | 6YvpLd5uP3U |
|---|---|
| InChI | InChI=1S/C36H58O9/c1-18(2)19-8-13-36(31(42)43)15-14-34(6)20(25(19)36)16-21(38)29-33(5)11-10-24(32(3,4)23(33)9-12-35(29,34)7)45-30-28(41)27(40)26(39)22(17-37)44-30/h19-30,37-41H,1,8-17H2,2-7H3,(H,42,43)/t19-,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30-,33-,34+,35+,36-/m0/s1 |
| InChIKey | WRJZIYSNFOGUAQ-ZEJDLYSXSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CaYgmGYSgLj |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-3-ALPHA,11-ALPHA-DIHYDROXYLUP-20(29)-EN-28-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O9 |
| InChI | InChI=1S/C36H58O9/c1-18(2)19-8-13-36(31(42)43)15-14-34(6)20(25(19)36)16-21(38)29-33(5)11-10-24(32(3,4)23(33)9-12-35(29,34)7)45-30-28(41)27(40)26(39)22(17-37)44-30/h19-30,37-41H,1,8-17H2,2-7H3,(H,42,43)/t19-,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30-,33-,34+,35+,36-/m0/s1 |
| InChIKey | WRJZIYSNFOGUAQ-ZEJDLYSXSA-N |
| Literature Reference Author | S.Y.CHANG,C.S.YOOK,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,50,1369(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00402-6 |
| Molecular Weight | 634.851 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1630 |