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FLOSCULIN_A;(4-R,8-S,9-R)-8-CHLORO-7-[(E)-2,4-HEXADIYNYLIDENE]-9-HYDROXY-1,6-DIOXASPIRO-[4.4]-NON-2-EN-4-YL_ACETATE
SpectraBase Compound ID CCAxK4Ax5Oe
InChI InChI=1S/C15H13ClO5/c1-3-4-5-6-7-11-13(16)14(18)15(21-11)12(8-9-19-15)20-10(2)17/h7-9,12-14,18H,1-2H3/b11-7+/t12-,13-,14+,15-/m0/s1
InChIKey OMTKEJWBQVTEHK-ZBRNASRXSA-N
Mol Weight 308.72 g/mol
Molecular Formula C15H13ClO5
Exact Mass 308.045151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JIyGBwzGkMy
Name FLOSCULIN_A;(4-R,8-S,9-R)-8-CHLORO-7-[(E)-2,4-HEXADIYNYLIDENE]-9-HYDROXY-1,6-DIOXASPIRO-[4.4]-NON-2-EN-4-YL_ACETATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13ClO5
InChI InChI=1S/C15H13ClO5/c1-3-4-5-6-7-11-13(16)14(18)15(21-11)12(8-9-19-15)20-10(2)17/h7-9,12-14,18H,1-2H3/b11-7+/t12-,13-,14+,15-/m0/s1
InChIKey OMTKEJWBQVTEHK-ZBRNASRXSA-N
Literature Reference Author L.CASU,L.BONSIGNORE,M.PINNA,M.CASU,C.FLORIS,J.GERTSCH,F.COTT IGLIA
Literature Reference Citation J.NAT.PROD.,69,295(2006)
Literature Reference DOI 10.1021/np0504513
Molecular Weight 308.718 g/mol
Solvent C6D6
Source File Reference UWMZ16838