| SpectraBase Compound ID | 7UlGCC6yEfR |
|---|---|
| InChI | InChI=1S/C36H30O16.Na/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16;/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48);/q;+1/p-1/t29-,30+,31+,32?;/m0./s1 |
| InChIKey | VNOUTGISRFSZGD-RMPOYUCXSA-M |
| Mol Weight | 740.6 g/mol |
| Molecular Formula | C36H29NaO16 |
| Exact Mass | 740.135329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1C0VpLUBQcZ |
|---|---|
| Name | RABDOSIIN-SODIUM-SALT |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H29NaO16 |
| InChI | InChI=1S/C36H30O16.Na/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16;/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48);/q;+1/p-1/t29-,30+,31+,32?;/m0./s1 |
| InChIKey | VNOUTGISRFSZGD-RMPOYUCXSA-M |
| Literature Reference Author | Y.KASHIWADA,M.NISHIZAWA,T.YAMAGISHI,T.TANAKA,G.I.NONAKA,L.M. COSENTINO,J.V.SNIDER |
| Literature Reference Citation | J.NAT.PROD.,58,392(1995) |
| Literature Reference DOI | 10.1021/np50117a007 |
| Molecular Weight | 740.606 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWMR121 |