| SpectraBase Compound ID | 6w687QHOXXs |
|---|---|
| InChI | InChI=1S/C31H52N2O/c1-18(2)21-13-16-30(7)15-9-10-20(4)25(30)27(21)32-28(34)33-31(8)17-14-23-26(29(23,5)6)24-19(3)11-12-22(24)31/h18-19,21-27H,4,9-17H2,1-3,5-8H3,(H2,32,33,34)/t19-,21+,22-,23-,24-,25-,26-,27+,30-,31-/m1/s1 |
| InChIKey | GWNAWKXPMUQBAV-BJJXRJFNSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C31H52N2O |
| Exact Mass | 468.407964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BS1hcfN83fX |
|---|---|
| Name | HALICHONADIN_E |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52N2O |
| InChI | InChI=1S/C31H52N2O/c1-18(2)21-13-16-30(7)15-9-10-20(4)25(30)27(21)32-28(34)33-31(8)17-14-23-26(29(23,5)6)24-19(3)11-12-22(24)31/h18-19,21-27H,4,9-17H2,1-3,5-8H3,(H2,32,33,34)/t19-,21+,22-,23-,24-,25-,26-,27+,30-,31-/m1/s1 |
| InChIKey | GWNAWKXPMUQBAV-BJJXRJFNSA-N |
| Literature Reference Author | S.KOZAWA,H.ISHIYAMA,J.FROMONT,J.KOBAYASHI |
| Literature Reference Citation | J.NAT.PROD.,71,445(2008) |
| Literature Reference DOI | 10.1021/np0703139 |
| Molecular Weight | 468.767 g/mol |
| Sample ID | 27528 |
| Solvent | CDCl3 |