| SpectraBase Compound ID | LQhLQJ4P8E7 |
|---|---|
| InChI | InChI=1S/C34H54O9/c1-7-8-9-10-11-21(2)14-23(4)16-24(19-35)15-22(3)12-13-28(39)34(5,6)29-18-26(37)30(33(41)43-29)32-31(40)27(38)17-25(20-36)42-32/h12-13,15-16,18,21,24-25,27-28,31-32,35-40H,7-11,14,17,19-20H2,1-6H3/b13-12+,22-15+,23-16-/t21?,24?,25-,27-,28?,31+,32-/m0/s1 |
| InChIKey | HEECQDWUNPZALD-ZBNIOBMFSA-N |
| Mol Weight | 606.8 g/mol |
| Molecular Formula | C34H54O9 |
| Exact Mass | 606.376783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7oxlb2uLdWW |
|---|---|
| Name | NEOFUSAPYRONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H54O9 |
| InChI | InChI=1S/C34H54O9/c1-7-8-9-10-11-21(2)14-23(4)16-24(19-35)15-22(3)12-13-28(39)34(5,6)29-18-26(37)30(33(41)43-29)32-31(40)27(38)17-25(20-36)42-32/h12-13,15-16,18,21,24-25,27-28,31-32,35-40H,7-11,14,17,19-20H2,1-6H3/b13-12+,22-15+,23-16-/t21?,24?,25-,27-,28?,31+,32-/m0/s1 |
| InChIKey | HEECQDWUNPZALD-ZBNIOBMFSA-N |
| Literature Reference Author | F.HIRAMATSU,T.MIYAJIMA,T.MURAYAMA,K.TAKAHASHI,T.KOSEKI,Y.SHI NNO |
| Literature Reference Citation | J.ANTIBIOTICS,59,704(2006) |
| Literature Reference DOI | 10.1038/ja.2006.94 |
| Molecular Weight | 606.797 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMB34 |