| SpectraBase Compound ID | 7YXfzDBnVdp |
|---|---|
| InChI | InChI=1S/C27H39N5O11S/c1-14(2)21(30-19(34)12-17-8-6-5-7-9-17)26(38)29-18(13-44(40,41)42)24(36)32-23-16(4)43-20(35)10-11-28-25(37)22(15(3)33)31-27(23)39/h5-9,14-16,18,21-23,33H,10-13H2,1-4H3,(H,28,37)(H,29,38)(H,30,34)(H,31,39)(H,32,36)(H,40,41,42)/t15-,16+,18+,21-,22+,23-/m0/s1 |
| InChIKey | IGQWJTOITVEYBJ-GMYCQRIPSA-N |
| Mol Weight | 641.7 g/mol |
| Molecular Formula | C27H39N5O11S |
| Exact Mass | 641.236678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQZWQG88Bqk |
|---|---|
| Name | JBIR-96 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H39N5O11S |
| InChI | InChI=1S/C27H39N5O11S/c1-14(2)21(30-19(34)12-17-8-6-5-7-9-17)26(38)29-18(13-44(40,41)42)24(36)32-23-16(4)43-20(35)10-11-28-25(37)22(15(3)33)31-27(23)39/h5-9,14-16,18,21-23,33H,10-13H2,1-4H3,(H,28,37)(H,29,38)(H,30,34)(H,31,39)(H,32,36)(H,40,41,42)/t15-,16+,18+,21-,22+,23-/m0/s1 |
| InChIKey | IGQWJTOITVEYBJ-GMYCQRIPSA-N |
| Literature Reference Author | J.UEDA,M.IZUMIKAWA,I.KOZONE,H.YAMAMURA,M.HAYAKAWA,M.TAKAGI,K .SHIN-YA |
| Literature Reference Citation | J.NAT.PROD.,74,1344(2011) |
| Literature Reference DOI | 10.1021/np200054s |
| Molecular Weight | 641.694 g/mol |
| Sample ID | 38395 |
| Solvent | DMSO-D6 |