| SpectraBase Compound ID | 2gQ6qWQcRpG |
|---|---|
| InChI | InChI=1S/C23H24O8S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(31-33(27,28)29)22-30-32(24,25)26;;/h1,3-4,9-10,23H,5-8,15-17,22H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b4-3-,10-9-;; |
| InChIKey | CSALCAKLDLNMOU-PPRSPVJYSA-L |
| Mol Weight | 536.52053856 g/mol |
| Molecular Formula | C23H22Na2O8S2 |
| Exact Mass | 536.055149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfyolYtUKQu |
|---|---|
| Name | CALLYSPONGIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H22Na2O8S2 |
| InChI | InChI=1S/C23H24O8S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(31-33(27,28)29)22-30-32(24,25)26;;/h1,3-4,9-10,23H,5-8,15-17,22H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b4-3-,10-9-;; |
| InChIKey | CSALCAKLDLNMOU-PPRSPVJYSA-L |
| Literature Reference Author | M.UNO,S.OHTA,E.OHTA,S.IKEGAMI |
| Literature Reference Citation | J.NAT.PROD.,59,1146(1996) |
| Literature Reference DOI | 10.1021/np960516p |
| Molecular Weight | 536.522 g/mol |
| Solvent | CD3OD:D2O=1:1 |
| Source File Reference | UWKP55 |