SpectraBase Compound ID | 7wKbkE7C5gM |
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InChI | InChI=1S/C28H40O13/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/h9-10,13-14,18-20,23,39H,2-8,11-12,15-17H2,1H3,(H,29,30)(H,32,33)(H,34,35)(H,37,38)/b10-9-,14-13+/t18-,19-,20-,23-,28-/m0/s1 |
InChIKey | ILSZYBVYZFASML-FHVLKBFESA-N |
Mol Weight | 584.6 g/mol |
Molecular Formula | C28H40O13 |
Exact Mass | 584.246891 g/mol |
SpectraBase Spectrum ID | KGnTclsnbWr |
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Name | CITRAFUNGIN-A |
Compound Number | 1A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C28H40O13 |
InChI | InChI=1S/C28H40O13/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/h9-10,13-14,18-20,23,39H,2-8,11-12,15-17H2,1H3,(H,29,30)(H,32,33)(H,34,35)(H,37,38)/b10-9-,14-13+/t18-,19-,20-,23-,28-/m0/s1 |
InChIKey | ILSZYBVYZFASML-FHVLKBFESA-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 | 584.618 g/mol |
Sample ID | 50170 |
Solvent | ACETONE-D6 |