| SpectraBase Compound ID | 4PknPX8mGyO |
|---|---|
| InChI | InChI=1S/C28H42O6/c1-6-24-17(3)8-11-25(34-24)18(4)13-16(2)7-9-21-19(5)22(21)10-12-26-28(32)23(29)14-20(33-26)15-27(30)31/h7-10,12-13,16,19-26,28-29,32H,6,11,14-15H2,1-5H3,(H,30,31)/b9-7+,12-10+,18-13+/t16-,19+,20+,21-,22-,23+,24-,25-,26+,28-/m1/s1 |
| InChIKey | TYIXBSJXUFTELJ-JMHIJQLUSA-N |
| Mol Weight | 474.6 g/mol |
| Molecular Formula | C28H42O6 |
| Exact Mass | 474.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlhcviI9GF7 |
|---|---|
| Name | AMBRUTICIN;NATURAL-FORM |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H42O6 |
| InChI | InChI=1S/C28H42O6/c1-6-24-17(3)8-11-25(34-24)18(4)13-16(2)7-9-21-19(5)22(21)10-12-26-28(32)23(29)14-20(33-26)15-27(30)31/h7-10,12-13,16,19-26,28-29,32H,6,11,14-15H2,1-5H3,(H,30,31)/b9-7+,12-10+,18-13+/t16-,19+,20+,21-,22-,23+,24-,25-,26+,28-/m1/s1 |
| InChIKey | TYIXBSJXUFTELJ-JMHIJQLUSA-N |
| Literature Reference Author | P.LIU,E.N.JACOBSEN |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,10772(2001) |
| Literature Reference DOI | 10.1021/ja016893s |
| Molecular Weight | 474.638 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32616 |