| SpectraBase Compound ID | LDLsmVCa8Cq |
|---|---|
| InChI | InChI=1S/C37H51Cl2N3O12S2/c1-9-12-27(44)42-29(19(3)4)25(51-21(6)43)15-28(45)52-26-16-50-34(47)22-17-56-32(41-22)30(36(7,49)10-2)54-33(46)20(5)24(13-11-14-37(8,38)39)53-35(48)23-18-55-31(26)40-23/h17-20,24-26,29-30,49H,9-16H2,1-8H3,(H,42,44)/t20-,24-,25+,26+,29-,30-,36+/m0/s1 |
| InChIKey | PJUBBMCDPRNVHH-MEIMPPONSA-N |
| Mol Weight | 864.8 g/mol |
| Molecular Formula | C37H51Cl2N3O12S2 |
| Exact Mass | 863.229122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91l1dr9xsam |
|---|---|
| Name | LYNGBYABELLIN_J |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H51Cl2N3O12S2 |
| InChI | InChI=1S/C37H51Cl2N3O12S2/c1-9-12-27(44)42-29(19(3)4)25(51-21(6)43)15-28(45)52-26-16-50-34(47)22-17-56-32(41-22)30(36(7,49)10-2)54-33(46)20(5)24(13-11-14-37(8,38)39)53-35(48)23-18-55-31(26)40-23/h17-20,24-26,29-30,49H,9-16H2,1-8H3,(H,42,44)/t20-,24-,25+,26+,29-,30-,36+/m0/s1 |
| InChIKey | PJUBBMCDPRNVHH-MEIMPPONSA-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 | 864.851 g/mol |
| Sample ID | 36355 |
| Solvent | CDCl3 |