| SpectraBase Compound ID | 3i5jUgf2T7Y |
|---|---|
| InChI | InChI=1S/C39H52N2O12/c1-22(2)29-12-10-23(3)30-17-33(52-34(45)13-11-28-18-41(8)21-40-28)38(7)14-15-39(46-9,53-38)27(16-31(29)30)19-47-37-36(51-26(6)44)35(50-25(5)43)32(20-48-37)49-24(4)42/h10-11,13-16,18,21-22,29-33,35-37H,12,17,19-20H2,1-9H3/b13-11+,27-16-/t29-,30+,31-,32-,33+,35-,36+,37-,38+,39-/m1/s1 |
| InChIKey | VUUJYBJDRNZFAG-PVGQLAJWSA-N |
| Mol Weight | 740.8 g/mol |
| Molecular Formula | C39H52N2O12 |
| Exact Mass | 740.352025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bAixDvOmgB |
|---|---|
| Name | DIACETYLELEUTHEROBIN |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H52N2O12 |
| InChI | InChI=1S/C39H52N2O12/c1-22(2)29-12-10-23(3)30-17-33(52-34(45)13-11-28-18-41(8)21-40-28)38(7)14-15-39(46-9,53-38)27(16-31(29)30)19-47-37-36(51-26(6)44)35(50-25(5)43)32(20-48-37)49-24(4)42/h10-11,13-16,18,21-22,29-33,35-37H,12,17,19-20H2,1-9H3/b13-11+,27-16-/t29-,30+,31-,32-,33+,35-,36+,37-,38+,39-/m1/s1 |
| InChIKey | VUUJYBJDRNZFAG-PVGQLAJWSA-N |
| Literature Reference Author | B.CINEL,M.ROBERGE,H.BEHRISCH,L.V.OFWEGEN,C.B.CASTRO,R.J.ANDE RSEN |
| Literature Reference Citation | ORG.LETTERS,2,257(2000) |
| Literature Reference DOI | 10.1021/ol9912027 |
| Molecular Weight | 740.848 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI25774 |