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7.alpha.-Acetoxy-18-chloro-15,16-epoxy-4,6-dioxo-4,5-seco-neocleroda-5(19),13(16),14-trien-20,12-olide -
SpectraBase Compound ID HiC7Q6QNXWs
InChI InChI=1S/C22H25ClO7/c1-12-17(6-4-5-16(25)10-23)22(13(2)20(19(12)26)29-14(3)24)9-18(30-21(22)27)15-7-8-28-11-15/h7-8,11,13,17-18,20H,1,4-6,9-10H2,2-3H3/t13-,17+,18+,20+,22-/m1/s1
InChIKey JSDFGPIGXHGTTR-XQJOJBBSSA-N
Mol Weight 436.89 g/mol
Molecular Formula C22H25ClO7
Exact Mass 436.128881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGf88Kfwe9l
Name 7.alpha.-Acetoxy-18-chloro-15,16-epoxy-4,6-dioxo-4,5-seco-neocleroda-5(19),13(16),14-trien-20,12-olide -
Alternate Name(s) Acetic acid [(3S,5S,6S,9S,10S)-6-(5-chloro-4-oxopentyl)-3-(3-furanyl)-10-methyl-7-methylene-1,8-dioxo-2-oxaspiro[4.5]decan-9-yl] ester [(3S,5S,6S,9S,10S)-6-(5-chloro-4-oxopentyl)-3-(furan-3-yl)-10-methyl-7-methylidene-1,8-dioxo-2-oxaspiro[4.5]decan-9-yl] acetate [(3S,5S,6S,9S,10S)-6-(5-chloro-4-oxo-pentyl)-3-(3-furyl)-10-methyl-7-methylene-1,8-dioxo-2-oxaspiro[4.5]decan-9-yl] acetate [(3S,5S,6S,9S,10S)-6-(5-chloranyl-4-oxidanylidene-pentyl)-3-(furan-3-yl)-10-methyl-7-methylidene-1,8-bis(oxidanylidene)-2-oxaspiro[4.5]decan-9-yl] ethanoate
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Formula C22H25ClO7
InChI InChI=1S/C22H25ClO7/c1-12-17(6-4-5-16(25)10-23)22(13(2)20(19(12)26)29-14(3)24)9-18(30-21(22)27)15-7-8-28-11-15/h7-8,11,13,17-18,20H,1,4-6,9-10H2,2-3H3/t13-,17+,18+,20+,22-/m1/s1
InChIKey JSDFGPIGXHGTTR-XQJOJBBSSA-N
Molecular Weight 436.888 g/mol
SMILES [C@@]12(C(O[C@@](C2)(c2cocc2)[H])=O)[C@](C(=C)C([C@]([C@]1(C)[H])(OC(=O)C)[H])=O)(CCCC(=O)CCl)[H]
SPLASH splash10-0006-9220000000-4b10b16a0a1f2a057f15
Source of Spectrum G4-59-371-9
Wiley ID 1606229