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7.alpha.-Acetoxy-18-chloro-15,16-epoxy-4,6-dioxo-4,5-seco-neocleroda-3(16),14-dien-20,12-olide -
SpectraBase Compound ID BThT5vp4r4D
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/h7-8,11-13,17-18,20H,4-6,9-10H2,1-3H3/t12-,13-,17+,18+,20+,22-/m1/s1
InChIKey ATWFVGMQAPBQEC-OYGOZYAISA-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 6WgioZ6TnWz
Name 7.alpha.-Acetoxy-18-chloro-15,16-epoxy-4,6-dioxo-4,5-seco-neocleroda-3(16),14-dien-20,12-olide -
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/h7-8,11-13,17-18,20H,4-6,9-10H2,1-3H3/t12-,13-,17+,18+,20+,22-/m1/s1
InChIKey ATWFVGMQAPBQEC-OYGOZYAISA-N
Molecular Weight 438.904 g/mol
SMILES [C@]12(C(O[C@@](C2)(c2cocc2)[H])=O)[C@@]([C@](OC(=O)C)(C([C@@]([C@@]1(CCCC(=O)CCl)[H])(C)[H])=O)[H])(C)[H]
SPLASH splash10-0006-9301000000-cc9b04515ca3ef061d5a
Source of Spectrum G4-59-372-10
Synonyms Acetic acid [(3S,5S,6S,7R,9S,10S)-6-(5-chloro-4-oxopentyl)-3-(3-furanyl)-7,10-dimethyl-1,8-dioxo-2-oxaspiro[4.5]decan-9-yl] ester [(3S,5S,6S,7R,9S,10S)-6-(5-chloro-4-oxopentyl)-3-(furan-3-yl)-7,10-dimethyl-1,8-dioxo-2-oxaspiro[4.5]decan-9-yl] acetate [(3S,5S,6S,7R,9S,10S)-6-(5-chloro-4-oxo-pentyl)-3-(3-furyl)-7,10-dimethyl-1,8-dioxo-2-oxaspiro[4.5]decan-9-yl] acetate [(3S,5S,6S,7R,9S,10S)-6-(5-chloranyl-4-oxidanylidene-pentyl)-3-(furan-3-yl)-7,10-dimethyl-1,8-bis(oxidanylidene)-2-oxaspiro[4.5]decan-9-yl] ethanoate
Wiley ID 1606292