| SpectraBase Compound ID | BBD60GPWLUr |
|---|---|
| InChI | InChI=1S/C38H55Cl2N3O13S2/c1-10-13-28(46)43-30(20(3)4)27(54-22(6)44)16-29(47)53-17-25(45)32-41-24(19-57-32)36(50)55-26(14-12-15-38(8,39)40)21(5)34(48)56-31(37(7,51)11-2)33-42-23(18-58-33)35(49)52-9/h18-21,25-27,30-31,45,51H,10-17H2,1-9H3,(H,43,46)/t21-,25-,26-,27+,30+,31+,37?/m1/s1 |
| InChIKey | VDFRHOQVEAPBIB-OBLJIDPOSA-N |
| Mol Weight | 896.9 g/mol |
| Molecular Formula | C38H55Cl2N3O13S2 |
| Exact Mass | 895.255337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsYYSdZ5dOZ |
|---|---|
| Name | LYNGBYABELLIN-D |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H55Cl2N3O13S2 |
| InChI | InChI=1S/C38H55Cl2N3O13S2/c1-10-13-28(46)43-30(20(3)4)27(54-22(6)44)16-29(47)53-17-25(45)32-41-24(19-57-32)36(50)55-26(14-12-15-38(8,39)40)21(5)34(48)56-31(37(7,51)11-2)33-42-23(18-58-33)35(49)52-9/h18-21,25-27,30-31,45,51H,10-17H2,1-9H3,(H,43,46)/t21-,25-,26-,27+,30+,31+,37?/m1/s1 |
| InChIKey | VDFRHOQVEAPBIB-OBLJIDPOSA-N |
| Literature Reference Author | P.G.WILLIAMS,H.LUESCH,W.Y.YOSHIDA,R.E.MOORE,V.J.PAUL |
| Literature Reference Citation | J.NAT.PROD.,66,595(2003) |
| Literature Reference DOI | 10.1021/np030011g |
| Molecular Weight | 896.893 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7685 |