| SpectraBase Compound ID | DG0aXamRMKf |
|---|---|
| InChI | InChI=1S/C23H30NO4.H2O/c1-11-6-21-9-23(27)19-20(3)7-13(28-12(2)25)8-22(19)15(21)5-14(11)17(26)16(21)18(22)24(23,4)10-20;/h13-16,18-19,27H,1,5-10H2,2-4H3;1H2/q+1;/p-1/t13-,14-,15+,16+,18+,19-,20-,21+,22-,23-,24?;/m0./s1 |
| InChIKey | DUHPKGJRNWYVLE-ICWOLHPXSA-M |
| Mol Weight | 401.5 g/mol |
| Molecular Formula | C23H31NO5 |
| Exact Mass | 401.220223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEqZQHeUEO9 |
|---|---|
| Name | 2-O-ACETYLOROCHRINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H31NO5 |
| InChI | InChI=1S/C23H30NO4.H2O/c1-11-6-21-9-23(27)19-20(3)7-13(28-12(2)25)8-22(19)15(21)5-14(11)17(26)16(21)18(22)24(23,4)10-20;/h13-16,18-19,27H,1,5-10H2,2-4H3;1H2/q+1;/p-1/t13-,14-,15+,16+,18+,19-,20-,21+,22-,23-,24?;/m0./s1 |
| InChIKey | DUHPKGJRNWYVLE-ICWOLHPXSA-M |
| Literature Reference Author | P.WANGCHUK,J.B.BREMNER,S.SAMOSORN |
| Literature Reference Citation | J.NAT.PROD.,70,1808(2007) |
| Literature Reference DOI | 10.1021/np070266k |
| Molecular Weight | 401.503 g/mol |
| Sample ID | 31082 |
| Solvent | CD3OD |