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14-Iodo-2.beta.-acetoxy-3.beta.-hydroxy-5.alpha.H,4,6,11.beta.H-eudesman-12,6-olide

View entire compound with spectra: 1 MS (GC)

14-Iodo-2.beta.-acetoxy-3.beta.-hydroxy-5.alpha.H,4,6,11.beta.H-eudesman-12,6-olide
SpectraBase Compound ID AK8dfS5IEdH
InChI InChI=1S/C17H25IO5/c1-8-11-4-5-17(7-18)6-12(22-10(3)19)14(20)9(2)13(17)15(11)23-16(8)21/h8-9,11-15,20H,4-7H2,1-3H3/t8-,9-,11?,12-,13+,14+,15-,17-/m0/s1
InChIKey PLSRMEPULDDTAL-SCIUFGQQSA-N
Mol Weight 436.29 g/mol
Molecular Formula C17H25IO5
Exact Mass 436.074669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3H3e3zeTtU3
Name 14-Iodo-2.beta.-acetoxy-3.beta.-hydroxy-5.alpha.H,4,6,11.beta.H-eudesman-12,6-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25IO5
InChI InChI=1S/C17H25IO5/c1-8-11-4-5-17(7-18)6-12(22-10(3)19)14(20)9(2)13(17)15(11)23-16(8)21/h8-9,11-15,20H,4-7H2,1-3H3/t8-,9-,11?,12-,13+,14+,15-,17-/m0/s1
InChIKey PLSRMEPULDDTAL-SCIUFGQQSA-N
Molecular Weight 436.286 g/mol
SMILES O[C@]1([C@@](OC(=O)C)(C[C@]2([C@@]([C@]3(OC(=O)[C@](C3CC2)(C)[H])[H])([C@@]1(C)[H])[H])CI)[H])[H]
SPLASH splash10-0032-0391000000-0e94f9ef81806587ef13
Source of Spectrum J-59-6400-18
Synonyms (3S,5aR,7S,8R,9S,9aS,9bS)-8-hydroxy-5a-(iodomethyl)-3,9-dimethyl-2-oxododecahydronaphtho[1,2-b]furan-7-yl acetate Acetic acid[(3S,5aR,7S,8R,9S,9aS,9bS)-8-hydroxy-5a-(iodomethyl)-2-keto-3,9-dimethyl-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g]benzofuran-7-yl]ester Acetic acid[(3S,5aR,7S,8R,9S,9aS,9bS)-8-hydroxy-5a-(iodomethyl)-3,9-dimethyl-2-oxo-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g]benzofuran-7-yl]ester [(3S,5aR,7S,8R,9S,9aS,9bS)-5a-(iodanylmethyl)-3,9-dimethyl-8-oxidanyl-2-oxidanylidene-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-7-yl]ethanoate [(3S,5aR,7S,8R,9S,9aS,9bS)-8-hydroxy-5a-(iodomethyl)-3,9-dimethyl-2-oxo-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g]benzofuran-7-yl]acetate [(3S,5aR,7S,8R,9S,9aS,9bS)-8-hydroxy-5a-(iodomethyl)-3,9-dimethyl-2-oxo-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-7-yl]acetate Acetic acid [(3S,5aR,7S,8R,9S,9aS,9bS)-8-hydroxy-5a-(iodomethyl)-3,9-dimethyl-2-oxo-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g]benzofuran-7-yl] ester [(3S,5aR,7S,8R,9S,9aS,9bS)-8-hydroxy-5a-(iodomethyl)-3,9-dimethyl-2-oxo-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-7-yl] acetate [(3S,5aR,7S,8R,9S,9aS,9bS)-8-hydroxy-5a-(iodomethyl)-3,9-dimethyl-2-oxo-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g]benzofuran-7-yl] acetate [(3S,5aR,7S,8R,9S,9aS,9bS)-5a-(iodanylmethyl)-3,9-dimethyl-8-oxidanyl-2-oxidanylidene-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-7-yl] ethanoate
Wiley ID 1383359