| SpectraBase Compound ID | 12FmhijChXo |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-13-15-6-7-17-21(12-15,18(13)26-14(2)23)11-8-16-20(3,4)9-5-10-22(16,17)19(24)25/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16-,17?,18-,21-,22?/m1/s1 |
| InChIKey | XWCPHHFBYIZOIA-HGKVFDLUSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BXgQeukegb |
|---|---|
| Name | ROTUNDEIC-ACID-B;ENT-15-ALPHA-ACETOXYKAUR-16-EN-20-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-13-15-6-7-17-21(12-15,18(13)26-14(2)23)11-8-16-20(3,4)9-5-10-22(16,17)19(24)25/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16-,17?,18-,21-,22?/m1/s1 |
| InChIKey | XWCPHHFBYIZOIA-HGKVFDLUSA-N |
| Literature Reference Author | F.NAGASHIMA,H.TANAKA,Y.ASAKAWA |
| Literature Reference Citation | PHYTOCHEM.,44,653(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00604-8 |
| Molecular Weight | 360.494 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA213 |