| SpectraBase Compound ID | IAxVALFFDOJ |
|---|---|
| InChI | InChI=1S/C50H68O19/c1-24-32-16-17-37-47(11)21-35(62-26(3)52)44(50(14,59)39(63-27(4)53)18-19-46(9,10)60-15)48(47,12)22-38(58)49(37,13)33(32)20-34(40(24)64-28(5)54)68-45-43(67-31(8)57)42(66-30(7)56)41(65-29(6)55)36(69-45)23-61-25(2)51/h18-20,35-37,39,41-45,59H,16-17,21-23H2,1-15H3/b19-18+/t35-,36+,37+,39?,41+,42-,43+,44+,45+,47+,48-,49+,50?/m1/s1 |
| InChIKey | FJZVQOKIUMIHOV-NKKXNOIBSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C50H68O19 |
| Exact Mass | 972.43548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0BJ0Wu6RJG |
|---|---|
| Name | FJZVQOKIUMIHOV-NKKXNOIBSA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H68O19 |
| InChI | InChI=1S/C50H68O19/c1-24-32-16-17-37-47(11)21-35(62-26(3)52)44(50(14,59)39(63-27(4)53)18-19-46(9,10)60-15)48(47,12)22-38(58)49(37,13)33(32)20-34(40(24)64-28(5)54)68-45-43(67-31(8)57)42(66-30(7)56)41(65-29(6)55)36(69-45)23-61-25(2)51/h18-20,35-37,39,41-45,59H,16-17,21-23H2,1-15H3/b19-18+/t35-,36+,37+,39?,41+,42-,43+,44+,45+,47+,48-,49+,50?/m1/s1 |
| InChIKey | FJZVQOKIUMIHOV-NKKXNOIBSA-N |
| Literature Reference Author | L.M.M.VALENTE,A.A.L.GUNATILAKA,T.E.GLASS,D.G.I.KINGSTON,A.C. PINTO |
| Literature Reference Citation | J.NAT.PROD.,56,1772(1993) |
| Literature Reference DOI | 10.1021/np50100a017 |
| Molecular Weight | 973.079 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15641 |