| SpectraBase Compound ID | KkxpTt79HQz |
|---|---|
| InChI | InChI=1S/C21H31NO4/c1-18-7-8-21(26-2)15(9-17(24)22-21)14(18)5-6-19-10-13(3-4-16(18)19)20(25,11-19)12-23/h9,13-14,16,23,25H,3-8,10-12H2,1-2H3,(H,22,24)/t13-,14-,16+,18-,19+,20+,21+/m1/s1 |
| InChIKey | KTNZRKKLKVMLHB-XOVQUKCCSA-N |
| Mol Weight | 361.48 g/mol |
| Molecular Formula | C21H31NO4 |
| Exact Mass | 361.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jmcf0cXYE4e |
|---|---|
| Name | TRICALYSIAMIDE_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31NO4 |
| InChI | InChI=1S/C21H31NO4/c1-18-7-8-21(26-2)15(9-17(24)22-21)14(18)5-6-19-10-13(3-4-16(18)19)20(25,11-19)12-23/h9,13-14,16,23,25H,3-8,10-12H2,1-2H3,(H,22,24)/t13-,14-,16+,18-,19+,20+,21+/m1/s1 |
| InChIKey | KTNZRKKLKVMLHB-XOVQUKCCSA-N |
| Literature Reference Author | K.NISHIMURA,Y.HITOTSUYANAGI,N.SUGETA,H.FUKAYA,Y.AOYAGI,T.HAS UDA,T.KINOSHITA,K.TA |
| Literature Reference Citation | J.NAT.PROD.,70,758(2007) |
| Literature Reference DOI | 10.1021/np0680681 |
| Molecular Weight | 361.481 g/mol |
| Sample ID | 30240 |
| Solvent | C5D5N |