![6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-3-keto-2,6,6-trimethyl-1-cyclohexa-1,4-dienyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one](/api/spectrum/HNg8F1KMSYy/structure.png?h=300&w=458 "6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-3-keto-2,6,6-trimethyl-1-cyclohexa-1,4-dienyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one")
| SpectraBase Compound ID | BXOcDPuR9Qx |
|---|---|
| InChI | InChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-26,41-42H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | FMKGDHLSXFDSOU-QISQUURKSA-N |
| Mol Weight | 592.8 g/mol |
| Molecular Formula | C40H48O4 |
| Exact Mass | 592.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HNg8F1KMSYy |
|---|---|
| Name | 6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-3-keto-2,6,6-trimethyl-1-cyclohexa-1,4-dienyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one |
| Compound Number | 100 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H48O4 |
| InChI | InChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-26,41-42H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | FMKGDHLSXFDSOU-QISQUURKSA-N |
| Literature Reference Author | G.ENGLERT |
| Literature Reference Citation | HELV.CHIM.ACTA,58,2367(1975) |
| Literature Reference DOI | 10.1002/hlca.19750580817 |
| Molecular Weight | 592.819 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS9552 |