| SpectraBase Compound ID | 4zCihraxUV9 |
|---|---|
| InChI | InChI=1S/C50H74O8/c1-33(17-21-39-35(3)19-23-41-47(39,5)27-13-29-49(41,7)45(53)55-9)25-31-57-43(51)37-15-11-12-16-38(37)44(52)58-32-26-34(2)18-22-40-36(4)20-24-42-48(40,6)28-14-30-50(42,8)46(54)56-10/h11-12,15-16,33-34,39-42H,3-4,13-14,17-32H2,1-2,5-10H3/t33-,34-,39+,40+,41-,42?,47-,48-,49+,50+/m1/s1 |
| InChIKey | SZGDEMFBERGNIT-JCPWJFDWSA-N |
| Mol Weight | 803.1 g/mol |
| Molecular Formula | C50H74O8 |
| Exact Mass | 802.538369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BogBoFX7CZA |
|---|---|
| Name | DIMER-H |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H74O8 |
| InChI | InChI=1S/C50H74O8/c1-33(17-21-39-35(3)19-23-41-47(39,5)27-13-29-49(41,7)45(53)55-9)25-31-57-43(51)37-15-11-12-16-38(37)44(52)58-32-26-34(2)18-22-40-36(4)20-24-42-48(40,6)28-14-30-50(42,8)46(54)56-10/h11-12,15-16,33-34,39-42H,3-4,13-14,17-32H2,1-2,5-10H3/t33-,34-,39+,40+,41-,42?,47-,48-,49+,50+/m1/s1 |
| InChIKey | SZGDEMFBERGNIT-JCPWJFDWSA-N |
| Literature Reference Author | M.W.PERTINO,C.THEODULOZ,M.BASTIAS,G.SCHMEDA-HIRSCHMANN |
| Literature Reference Citation | MOLECULES,18,5936(2013) |
| Literature Reference DOI | 10.3390/molecules18055936 |
| Molecular Weight | 803.133 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9380 |