| SpectraBase Compound ID | 1olFo5ndiJ7 |
|---|---|
| InChI | InChI=1S/C47H54O24/c1-22-40(65-27(6)52)42(67-29(8)54)45(69-31(10)56)47(60-22)71-43-41(66-28(7)53)38(21-59-39(57)16-13-32-11-14-34(61-23(2)48)36(19-32)63-25(4)50)70-46(44(43)68-30(9)55)58-18-17-33-12-15-35(62-24(3)49)37(20-33)64-26(5)51/h11-16,19-20,22,38,40-47H,17-18,21H2,1-10H3/b16-13+/t22-,38-,40-,41-,42+,43+,44-,45+,46-,47-/m0/s1 |
| InChIKey | TZOYRGIJINVJQD-DPIYWSBDSA-N |
| Mol Weight | 1002.9 g/mol |
| Molecular Formula | C47H54O24 |
| Exact Mass | 1002.300503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IpIC9dhGKt |
|---|---|
| Name | ISOVERBACOSIDE-NONAACETATE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H54O24 |
| InChI | InChI=1S/C47H54O24/c1-22-40(65-27(6)52)42(67-29(8)54)45(69-31(10)56)47(60-22)71-43-41(66-28(7)53)38(21-59-39(57)16-13-32-11-14-34(61-23(2)48)36(19-32)63-25(4)50)70-46(44(43)68-30(9)55)58-18-17-33-12-15-35(62-24(3)49)37(20-33)64-26(5)51/h11-16,19-20,22,38,40-47H,17-18,21H2,1-10H3/b16-13+/t22-,38-,40-,41-,42+,43+,44-,45+,46-,47-/m0/s1 |
| InChIKey | TZOYRGIJINVJQD-DPIYWSBDSA-N |
| Literature Reference Author | M.R.KERNAN,A.AMARQUAYE,J.L.CHEN,J.CHAN,D.F.SESIN,N.PARKINSON ,Z.J.YE,M.BARRETT,C. |
| Literature Reference Citation | J.NAT.PROD.,61,564(1998) |
| Literature Reference DOI | 10.1021/np9703914 |
| Molecular Weight | 1002.931 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ588 |