| SpectraBase Compound ID | 5YU0b6Bx3pt |
|---|---|
| InChI | InChI=1S/C36H54O8S2/c1-24-11-16-32-34(5,20-21-35(6)25(2)12-14-28-29(35)10-8-17-33(28,3)4)18-9-19-36(32,7)30(24)23-26-22-27(43-45(37,38)39)13-15-31(26)44-46(40,41)42/h10-11,13,15,22,25,28,30,32H,8-9,12,14,16-21,23H2,1-7H3,(H,37,38,39)(H,40,41,42)/t25-,28-,30+,32+,34-,35-,36-/m0/s1 |
| InChIKey | RODFQTBQHNRZDA-PUDCPQADSA-N |
| Mol Weight | 678.9 g/mol |
| Molecular Formula | C36H54O8S2 |
| Exact Mass | 678.326011 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5FjvlHjDt3D |
|---|---|
| Name | ADOCIASULFATE_12 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O8S2 |
| InChI | InChI=1S/C36H54O8S2/c1-24-11-16-32-34(5,20-21-35(6)25(2)12-14-28-29(35)10-8-17-33(28,3)4)18-9-19-36(32,7)30(24)23-26-22-27(43-45(37,38)39)13-15-31(26)44-46(40,41)42/h10-11,13,15,22,25,28,30,32H,8-9,12,14,16-21,23H2,1-7H3,(H,37,38,39)(H,40,41,42)/t25-,28-,30+,32+,34-,35-,36-/m0/s1 |
| InChIKey | RODFQTBQHNRZDA-PUDCPQADSA-N |
| Literature Reference Author | L.M.WEST,D.J.FAULKNER |
| Literature Reference Citation | J.NAT.PROD.,69,1001(2006) |
| Literature Reference DOI | 10.1021/np050459c |
| Molecular Weight | 678.940 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18941 |