| SpectraBase Compound ID | D8zpTBWsIDY |
|---|---|
| InChI | InChI=1S/C27H33N3O7/c28-25(35)23-13-17-5-10-20(33)14-22(17)30(23)27(37)21(11-15-1-6-18(31)7-2-15)29-26(36)24(34)12-16-3-8-19(32)9-4-16/h1-4,6-9,17,20-24,31-34H,5,10-14H2,(H2,28,35)(H,29,36)/t17-,20-,21+,22-,23-,24+/m0/s1 |
| InChIKey | UYAGLGONOYOGBB-QECFBVRUSA-N |
| Mol Weight | 511.6 g/mol |
| Molecular Formula | C27H33N3O7 |
| Exact Mass | 511.23185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6citszolnD |
|---|---|
| Name | AERUGINOSIN_DA5AA;D-HPLA-D-TYR-L-6-EPI-CHOI-AMIDE;MAJOR_ROTAMER;CIS |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H33N3O7 |
| InChI | InChI=1S/C27H33N3O7/c28-25(35)23-13-17-5-10-20(33)14-22(17)30(23)27(37)21(11-15-1-6-18(31)7-2-15)29-26(36)24(34)12-16-3-8-19(32)9-4-16/h1-4,6-9,17,20-24,31-34H,5,10-14H2,(H2,28,35)(H,29,36)/t17-,20-,21+,22-,23-,24+/m0/s1 |
| InChIKey | UYAGLGONOYOGBB-QECFBVRUSA-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 | 511.575 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ43591 |