| SpectraBase Compound ID | EkZqn8sA6cT |
|---|---|
| InChI | InChI=1S/C34H41NO12S/c1-17-25(46-19(3)37)14-23-22(28(17)40)12-11-20-13-21(9-7-5-6-8-10-27(38)39)34(31(44)33(20,23)4)29(41)26(47-32(34)45)16-48-15-24(30(42)43)35-18(2)36/h5-12,17,20-26,28,40H,13-16H2,1-4H3,(H,35,36)(H,38,39)(H,42,43)/b6-5+,9-7+,10-8+/t17-,20-,21+,22+,23-,24+,25+,26?,28+,33-,34-/m0/s1 |
| InChIKey | PTLQDKFYOYMVQN-FQVSFBFASA-N |
| Mol Weight | 687.8 g/mol |
| Molecular Formula | C34H41NO12S |
| Exact Mass | 687.234947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11db002blrE |
|---|---|
| Name | LUCENCIMYCIN_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H41NO12S |
| InChI | InChI=1S/C34H41NO12S/c1-17-25(46-19(3)37)14-23-22(28(17)40)12-11-20-13-21(9-7-5-6-8-10-27(38)39)34(31(44)33(20,23)4)29(41)26(47-32(34)45)16-48-15-24(30(42)43)35-18(2)36/h5-12,17,20-26,28,40H,13-16H2,1-4H3,(H,35,36)(H,38,39)(H,42,43)/b6-5+,9-7+,10-8+/t17-,20-,21+,22+,23-,24+,25+,26?,28+,33-,34-/m0/s1 |
| InChIKey | PTLQDKFYOYMVQN-FQVSFBFASA-N |
| Literature Reference Author | S.B.SINGH,D.L.ZINK,K.DORSO,M.MOTYL,O.SALAZAR,A.BASILIO,F.VIC ENTE,K.M.BYRNE,S.HA, |
| Literature Reference Citation | J.NAT.PROD.,72,345(2009) |
| Literature Reference DOI | 10.1021/np8005106 |
| Molecular Weight | 687.759 g/mol |
| Sample ID | 32250 |
| Solvent | CD3OD |