| SpectraBase Compound ID | CsvJWcSTyBp |
|---|---|
| InChI | InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)/t15?,18-,20-,21+/m0/s1 |
| InChIKey | VJSNPXXBMRWPEJ-UMNUZJMWSA-N |
| Mol Weight | 691.7 g/mol |
| Molecular Formula | C29H40Cl2N4O7S2 |
| Exact Mass | 690.171547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8mbQZKfOld |
|---|---|
| Name | LYNGBYABELLIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40Cl2N4O7S2 |
| InChI | InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)/t15?,18-,20-,21+/m0/s1 |
| InChIKey | VJSNPXXBMRWPEJ-UMNUZJMWSA-N |
| Literature Reference Author | H.LUESCH,W.Y.YOSHIDA,R.E.MOORE,V.J.PAUL,S.L.MOOBERRY |
| Literature Reference Citation | J.NAT.PROD.,63,611(2000) |
| Literature Reference DOI | 10.1021/np990543q |
| Molecular Weight | 691.685 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU5785 |