| SpectraBase Compound ID | IEPP54l3jYO |
|---|---|
| InChI | InChI=1S/C50H92O14/c1-33(2)27-23-19-15-11-7-9-13-17-21-25-29-37-35(5)47(57)59-31-40-42(52)44(54)46(56)50(64-40)62-38(30-26-22-18-14-10-8-12-16-20-24-28-34(3)4)36(6)48(58)60-32-39-41(51)43(53)45(55)49(61-37)63-39/h33-46,49-56H,7-32H2,1-6H3/t35-,36-,37+,38+,39-,40-,41-,42-,43+,44+,45-,46-,49-,50-/m1/s1 |
| InChIKey | TURVNPRDJNOSQM-DFWRXJHOSA-N |
| Mol Weight | 917.3 g/mol |
| Molecular Formula | C50H92O14 |
| Exact Mass | 916.648708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64peuaqvayR |
|---|---|
| Name | TURVNPRDJNOSQM-DFWRXJHOSA-N |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H92O14 |
| InChI | InChI=1S/C50H92O14/c1-33(2)27-23-19-15-11-7-9-13-17-21-25-29-37-35(5)47(57)59-31-40-42(52)44(54)46(56)50(64-40)62-38(30-26-22-18-14-10-8-12-16-20-24-28-34(3)4)36(6)48(58)60-32-39-41(51)43(53)45(55)49(61-37)63-39/h33-46,49-56H,7-32H2,1-6H3/t35-,36-,37+,38+,39-,40-,41-,42-,43+,44+,45-,46-,49-,50-/m1/s1 |
| InChIKey | TURVNPRDJNOSQM-DFWRXJHOSA-N |
| Literature Reference Author | A.FUERSTNER,J.RUIZ-CARO,H.PRINZ,H.WALDMANN |
| Literature Reference Citation | J.ORG.CHEM.,69,459(2004) |
| Literature Reference DOI | 10.1021/jo035079f |
| Molecular Weight | 917.272 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN21819 |