| SpectraBase Compound ID | AL1pgy4aryW |
|---|---|
| InChI | InChI=1S/C28H38O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-20(26(36)40-18)28(39,27(37)38)17-22(31)41-23(25(34)35)19(24(32)33)16-21(29)30/h6-7,9-10,13-14,18-20,23,39H,2-5,8,11-12,15-17H2,1H3,(H,29,30)(H,32,33)(H,34,35)(H,37,38)/b7-6-,10-9-,14-13+/t18-,19-,20-,23-,28-/m0/s1 |
| InChIKey | BUDVJTLKHWKZFS-CNZAXWDMSA-N |
| Mol Weight | 582.6 g/mol |
| Molecular Formula | C28H38O13 |
| Exact Mass | 582.231241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFnSyHj0CNF |
|---|---|
| Name | CITRAFUNGIN-B |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O13 |
| InChI | InChI=1S/C28H38O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-20(26(36)40-18)28(39,27(37)38)17-22(31)41-23(25(34)35)19(24(32)33)16-21(29)30/h6-7,9-10,13-14,18-20,23,39H,2-5,8,11-12,15-17H2,1H3,(H,29,30)(H,32,33)(H,34,35)(H,37,38)/b7-6-,10-9-,14-13+/t18-,19-,20-,23-,28-/m0/s1 |
| InChIKey | BUDVJTLKHWKZFS-CNZAXWDMSA-N |
| Literature Reference Author | S.B.SINGH,D.L.ZINK,G.A.DOSS,J.D.POLISHOOK,C.RUBY,E.REGISTER, T.M.KELLY,C.BONFIGLI |
| Literature Reference Citation | ORG.LETTERS,6,337(2004) |
| Literature Reference DOI | 10.1021/ol0361249 |
| Molecular Weight | 582.602 g/mol |
| Sample ID | 50171 |
| Solvent | ACETONE-D6 |