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7.alpha.-Acetoxy-18-chloro-15,16-epoxy-4,6-dioxy-4,5-seco-neocleroda-5(19),13(16),14-triene - 20,12-Hemiacetal
SpectraBase Compound ID 1T2IBKRSToB
InChI InChI=1S/C22H27ClO7/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/h7-8,11,13,17-18,20-21,27H,1,4-6,9-10H2,2-3H3/t13-,17+,18+,20+,21?,22-/m1/s1
InChIKey YBZZNOBDRSMFKX-CLOHSTHJSA-N
Mol Weight 438.9 g/mol
Molecular Formula C22H27ClO7
Exact Mass 438.144531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZmdNezWDFJ
Name 7.alpha.-Acetoxy-18-chloro-15,16-epoxy-4,6-dioxy-4,5-seco-neocleroda-5(19),13(16),14-triene - 20,12-Hemiacetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27ClO7
InChI InChI=1S/C22H27ClO7/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/h7-8,11,13,17-18,20-21,27H,1,4-6,9-10H2,2-3H3/t13-,17+,18+,20+,21?,22-/m1/s1
InChIKey YBZZNOBDRSMFKX-CLOHSTHJSA-N
Molecular Weight 438.904 g/mol
SMILES OC1[C@]2([C@](C(=C)C([C@]([C@]2(C)[H])(OC(=O)C)[H])=O)(CCCC(=O)CCl)[H])C[C@](c2cocc2)([H])O1
SPLASH splash10-01ox-9600000000-e2ea6fd09f1930b67302
Source of Spectrum G4-59-371-4
Synonyms Acetic acid [(3S,5S,6R,9S,10S)-6-(5-chloro-4-oxopentyl)-3-(3-furanyl)-1-hydroxy-10-methyl-7-methylene-8-oxo-2-oxaspiro[4.5]decan-9-yl] ester [(3S,5S,6R,9S,10S)-6-(5-chloro-4-oxopentyl)-3-(furan-3-yl)-1-hydroxy-10-methyl-7-methylidene-8-oxo-2-oxaspiro[4.5]decan-9-yl] acetate [(3S,5S,6R,9S,10S)-6-(5-chloro-4-oxo-pentyl)-3-(3-furyl)-1-hydroxy-10-methyl-7-methylene-8-oxo-2-oxaspiro[4.5]decan-9-yl] acetate [(3S,5S,6R,9S,10S)-6-(5-chloranyl-4-oxidanylidene-pentyl)-3-(furan-3-yl)-10-methyl-7-methylidene-1-oxidanyl-8-oxidanylidene-2-oxaspiro[4.5]decan-9-yl] ethanoate
Wiley ID 1606233