| SpectraBase Compound ID | HcsmrKAjC2e |
|---|---|
| InChI | InChI=1S/C29H40Cl2N4O6S2/c1-8-16(4)21-24-34-18(14-42-24)26(38)40-19(10-9-11-29(7,30)31)28(5,6)27(39)41-22(15(2)3)25-33-17(13-43-25)23(37)32-12-20(36)35-21/h13-16,19,21-22H,8-12H2,1-7H3,(H,32,37)(H,35,36)/t16-,19+,21+,22+/m1/s1 |
| InChIKey | MXKVWNSSDRMDBC-XEHJXZTKSA-N |
| Mol Weight | 675.7 g/mol |
| Molecular Formula | C29H40Cl2N4O6S2 |
| Exact Mass | 674.176633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JyQkdk7Upp |
|---|---|
| Name | 27-DEOXYLYNGBYABELLIN_A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40Cl2N4O6S2 |
| InChI | InChI=1S/C29H40Cl2N4O6S2/c1-8-16(4)21-24-34-18(14-42-24)26(38)40-19(10-9-11-29(7,30)31)28(5,6)27(39)41-22(15(2)3)25-33-17(13-43-25)23(37)32-12-20(36)35-21/h13-16,19,21-22H,8-12H2,1-7H3,(H,32,37)(H,35,36)/t16-,19+,21+,22+/m1/s1 |
| InChIKey | MXKVWNSSDRMDBC-XEHJXZTKSA-N |
| Literature Reference Author | S.MATTHEW,L.A.SALVADOR,P.J.SCHUPP,V.J.PAUL,H.LUESCH |
| Literature Reference Citation | J.NAT.PROD.,73,1544(2010) |
| Literature Reference DOI | 10.1021/np1004032 |
| Molecular Weight | 675.686 g/mol |
| Sample ID | 36354 |
| Solvent | CDCl3 |