| SpectraBase Compound ID | EqcMI6Xr9N2 |
|---|---|
| InChI | InChI=1S/C30H51NO5S/c1-22(2)15-19-31-20-16-25(28(31)32)10-7-9-24(21-36-37(33,34)35)14-18-30(6)23(3)12-13-26-27(30)11-8-17-29(26,4)5/h11,16,22-24,26H,7-10,12-15,17-21H2,1-6H3,(H,33,34,35)/p-1/t23-,24?,26-,30-/m1/s1 |
| InChIKey | WCHHCUSNEGNTQI-XWZRGYCESA-M |
| Mol Weight | 536.8 g/mol |
| Molecular Formula | C30H50NO5S |
| Exact Mass | 536.34097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Zf2E3vkMyj |
|---|---|
| Name | IRREGULARASULFATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50NO5S |
| InChI | InChI=1S/C30H51NO5S/c1-22(2)15-19-31-20-16-25(28(31)32)10-7-9-24(21-36-37(33,34)35)14-18-30(6)23(3)12-13-26-27(30)11-8-17-29(26,4)5/h11,16,22-24,26H,7-10,12-15,17-21H2,1-6H3,(H,33,34,35)/p-1/t23-,24?,26-,30-/m1/s1 |
| InChIKey | WCHHCUSNEGNTQI-XWZRGYCESA-M |
| Literature Reference Author | G.CARR,M.RASZEK,R.V.SOEST,T.MATAINAHO,M.SHOPIK,C.F.B.HOLMES, R.J.ANDERSEN |
| Literature Reference Citation | J.NAT.PROD.,70,1812(2007) |
| Literature Reference DOI | 10.1021/np0702887 |
| Molecular Weight | 536.791 g/mol |
| Sample ID | 31085 |
| Solvent | CDCl3 |