| SpectraBase Compound ID | 2wX0UaUpxcB |
|---|---|
| InChI | InChI=1S/C27H33N3O6/c28-25(34)23-14-18-8-11-20(32)15-22(18)30(23)27(36)21(12-16-4-2-1-3-5-16)29-26(35)24(33)13-17-6-9-19(31)10-7-17/h1-7,9-10,18,20-24,31-33H,8,11-15H2,(H2,28,34)(H,29,35)/t18-,20-,21+,22-,23-,24+/m0/s1 |
| InChIKey | NGUWJJZEICUAEZ-YKWUAUMOSA-N |
| Mol Weight | 495.6 g/mol |
| Molecular Formula | C27H33N3O6 |
| Exact Mass | 495.236936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRITYVspFp3 |
|---|---|
| Name | AERUGINOSIN_DA495A;D-HPLA-D-PHE-L-6-EPI-CHOI-AMIDE;MAJOR_ROTAMER;CIS |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H33N3O6 |
| InChI | InChI=1S/C27H33N3O6/c28-25(34)23-14-18-8-11-20(32)15-22(18)30(23)27(36)21(12-16-4-2-1-3-5-16)29-26(35)24(33)13-17-6-9-19(31)10-7-17/h1-7,9-10,18,20-24,31-33H,8,11-15H2,(H2,28,34)(H,29,35)/t18-,20-,21+,22-,23-,24+/m0/s1 |
| InChIKey | NGUWJJZEICUAEZ-YKWUAUMOSA-N |
| Literature Reference Author | S.ADIV,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,76,2307(2013) |
| Literature Reference DOI | 10.1021/np4006844 |
| Molecular Weight | 495.576 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ43589 |