| SpectraBase Compound ID | 3aIhRFLuDE4 |
|---|---|
| InChI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22?,23?,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | MQYXUWHLBZFQQO-HHCMUIRZSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AiqIPaRkWiM |
|---|---|
| Name | LUPEOL |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22?,23?,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | MQYXUWHLBZFQQO-HHCMUIRZSA-N |
| Literature Reference Author | D.BURNS,W.F.REYNOLDS,G.BUCHANAN,P.B.REESE,R.G.ENRIQUEZ |
| Literature Reference Citation | MAGN.RES.CHEM.,38,488(2000) |
| Literature Reference DOI | 10.1002/1097-458x(200007)38:7<488::aid-mrc704>3.3.co;2-7 |
| Molecular Weight | 426.726 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI3343 |