| SpectraBase Compound ID | BgAHZrUbA9X |
|---|---|
| InChI | InChI=1S/C54H54/c1-49(2,3)39-23-19-35-21-27-45-46(28-22-36-20-24-40(50(4,5)6)30-38(36)18-16-15-17-37(35)29-39)48-34-44(52(10,11)12)32-42-26-25-41-31-43(51(7,8)9)33-47(45)53(41,13)54(42,48)14/h19-20,23-26,29-34H,1-14H3/t53-,54-/m0/s1 |
| InChIKey | MTJJWFFHBNOREX-PJYGOTMFSA-N |
| Mol Weight | 703.0 g/mol |
| Molecular Formula | C54H54 |
| Exact Mass | 702.422552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1pW5vLY4uMX |
|---|---|
| Name | MTJJWFFHBNOREX-PJYGOTMFSA-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H54 |
| InChI | InChI=1S/C54H54/c1-49(2,3)39-23-19-35-21-27-45-46(28-22-36-20-24-40(50(4,5)6)30-38(36)18-16-15-17-37(35)29-39)48-34-44(52(10,11)12)32-42-26-25-41-31-43(51(7,8)9)33-47(45)53(41,13)54(42,48)14/h19-20,23-26,29-34H,1-14H3/t53-,54-/m0/s1 |
| InChIKey | MTJJWFFHBNOREX-PJYGOTMFSA-N |
| Literature Reference Author | D.B.KIMBALL,M.M.HALEY |
| Literature Reference Citation | J.ORG.CHEM.,67,8798(2002) |
| Literature Reference DOI | 10.1021/jo020462q |
| Molecular Weight | 703.023 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN23775 |