| SpectraBase Compound ID | Ism0lo4ecB3 |
|---|---|
| InChI | InChI=1S/C31H38N4O6/c1-17-6-5-7-24-30(17,3)9-8-18(2)31(24,4)13-19-10-20(37)11-21(27(19)39)34-16-33-28-26(29(34)40)32-15-35(28)25-12-22(38)23(14-36)41-25/h6,10-11,15-16,18,22-25,36,38H,5,7-9,12-14H2,1-4H3/t18-,22-,23+,24+,25+,30+,31+/m0/s1 |
| InChIKey | ZNAFQQZULPMGHK-QHPMTMBHSA-N |
| Mol Weight | 562.7 g/mol |
| Molecular Formula | C31H38N4O6 |
| Exact Mass | 562.279135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xFaemjHb7a |
|---|---|
| Name | AVINOSONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38N4O6 |
| InChI | InChI=1S/C31H38N4O6/c1-17-6-5-7-24-30(17,3)9-8-18(2)31(24,4)13-19-10-20(37)11-21(27(19)39)34-16-33-28-26(29(34)40)32-15-35(28)25-12-22(38)23(14-36)41-25/h6,10-11,15-16,18,22-25,36,38H,5,7-9,12-14H2,1-4H3/t18-,22-,23+,24+,25+,30+,31+/m0/s1 |
| InChIKey | ZNAFQQZULPMGHK-QHPMTMBHSA-N |
| Literature Reference Author | A.R.DIAZ-MARRERO,P.AUSTIN,R.V.SOEST,T.MATAINAHO,C.D.ROSKELLE Y,M.ROBERGE,R.J.ANDE |
| Literature Reference Citation | ORG.LETTERS,8,3749(2006) |
| Literature Reference DOI | 10.1021/ol061333p |
| Molecular Weight | 562.666 g/mol |
| Sample ID | 60626 |
| Solvent | CD2Cl2 |