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7.alpha.-Acetoxy-18-chloro-15,16-epoxy-4-hydroxy-6-oxo-4,5-seco-neocleroda-3(16),14-dien-20,12-olide -
SpectraBase Compound ID 3R27rElXRqA
InChI InChI=1S/C22H29ClO7/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/h7-8,11-13,16-18,20,25H,4-6,9-10H2,1-3H3/t12-,13-,16?,17+,18+,20+,22-/m1/s1
InChIKey ZLECURSQLSDQTM-JBAWZGISSA-N
Mol Weight 440.92 g/mol
Molecular Formula C22H29ClO7
Exact Mass 440.160181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OPXVjXsHCq
Name 7.alpha.-Acetoxy-18-chloro-15,16-epoxy-4-hydroxy-6-oxo-4,5-seco-neocleroda-3(16),14-dien-20,12-olide -
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29ClO7
InChI InChI=1S/C22H29ClO7/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/h7-8,11-13,16-18,20,25H,4-6,9-10H2,1-3H3/t12-,13-,16?,17+,18+,20+,22-/m1/s1
InChIKey ZLECURSQLSDQTM-JBAWZGISSA-N
Molecular Weight 440.920 g/mol
SMILES OC(CCC[C@@]1([C@]2(C(O[C@@](C2)(c2cocc2)[H])=O)[C@@]([C@](OC(=O)C)(C([C@@]1(C)[H])=O)[H])(C)[H])[H])CCl
SPLASH splash10-0006-9100000000-76a887db200f2299311d
Source of Spectrum G4-59-372-11
Synonyms Acetic acid [(3S,5S,6S,7R,9S,10S)-6-(5-chloro-4-hydroxypentyl)-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-hydroxypentyl)-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-hydroxy-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-oxidanyl-pentyl)-3-(furan-3-yl)-7,10-dimethyl-1,8-bis(oxidanylidene)-2-oxaspiro[4.5]decan-9-yl] ethanoate
Wiley ID 1606291