| SpectraBase Compound ID | JTNJDaRZ76V |
|---|---|
| InChI | InChI=1S/C53H47NO13/c1-31(55)61-39-25-23-36-29-38-37-24-26-40(47-53(37,27-28-54(38)2)42(36)43(39)64-47)62-52-46(67-51(59)35-21-13-6-14-22-35)45(66-50(58)34-19-11-5-12-20-34)44(65-49(57)33-17-9-4-10-18-33)41(63-52)30-60-48(56)32-15-7-3-8-16-32/h3-26,37-38,40-41,44-47,52H,27-30H2,1-2H3/t37-,38+,40-,41-,44-,45+,46-,47-,52+,53-/m0/s1 |
| InChIKey | WAEFFNCBXFSKFD-KHIUWAKQSA-N |
| Mol Weight | 906.0 g/mol |
| Molecular Formula | C53H47NO13 |
| Exact Mass | 905.304741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SavzmJa5Cz |
|---|---|
| Name | WAEFFNCBXFSKFD-KHIUWAKQSA-N |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H47NO13 |
| InChI | InChI=1S/C53H47NO13/c1-31(55)61-39-25-23-36-29-38-37-24-26-40(47-53(37,27-28-54(38)2)42(36)43(39)64-47)62-52-46(67-51(59)35-21-13-6-14-22-35)45(66-50(58)34-19-11-5-12-20-34)44(65-49(57)33-17-9-4-10-18-33)41(63-52)30-60-48(56)32-15-7-3-8-16-32/h3-26,37-38,40-41,44-47,52H,27-30H2,1-2H3/t37-,38+,40-,41-,44-,45+,46-,47-,52+,53-/m0/s1 |
| InChIKey | WAEFFNCBXFSKFD-KHIUWAKQSA-N |
| Literature Reference Author | P.KOVAC,K.C.RICE |
| Literature Reference Citation | HETEROCYCLES,41,697(1995) |
| Literature Reference DOI | 10.3987/COM-94-6957 |
| Molecular Weight | 905.955 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP5738 |