| SpectraBase Compound ID | J7rMBuiiDfH |
|---|---|
| InChI | InChI=1S/C60H78O9/c1-34-45-37(54(7)24-28-58(11)43-33-52(5,48(64)67-14)20-18-50(43,3)22-26-56(58,9)41(54)31-38(45)61)29-39-46(34)69-59(12)35-15-16-40-53(6,36(35)30-44(62)60(59,65)68-39)23-27-57(10)42-32-51(4,47(63)66-13)19-17-49(42,2)21-25-55(40,57)8/h15-16,29-31,42-43,65H,17-28,32-33H2,1-14H3/t42?,43?,49-,50-,51-,52-,53+,54+,55-,56-,57+,58+,59+,60-/m1/s1 |
| InChIKey | ZSUIKYWXQBBQHV-WFTIGPQKSA-N |
| Mol Weight | 943.3 g/mol |
| Molecular Formula | C60H78O9 |
| Exact Mass | 942.564584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZcZdu56nDt |
|---|---|
| Name | XUXUARINE-E-ALPHA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H78O9 |
| InChI | InChI=1S/C60H78O9/c1-34-45-37(54(7)24-28-58(11)43-33-52(5,48(64)67-14)20-18-50(43,3)22-26-56(58,9)41(54)31-38(45)61)29-39-46(34)69-59(12)35-15-16-40-53(6,36(35)30-44(62)60(59,65)68-39)23-27-57(10)42-32-51(4,47(63)66-13)19-17-49(42,2)21-25-55(40,57)8/h15-16,29-31,42-43,65H,17-28,32-33H2,1-14H3/t42?,43?,49-,50-,51-,52-,53+,54+,55-,56-,57+,58+,59+,60-/m1/s1 |
| InChIKey | ZSUIKYWXQBBQHV-WFTIGPQKSA-N |
| Literature Reference Author | A.G.GONZALEZ,F.M.RODRIGUEZ,I.L.BAZZOCCHI,A.G.RAVELO |
| Literature Reference Citation | J.NAT.PROD.,63,48(2000) |
| Literature Reference DOI | 10.1021/np990322k |
| Molecular Weight | 943.274 g/mol |
| Solvent | Unknown |
| Source File Reference | UWRU1668 |