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3-Oxo-14-acetoxy-2.alpha.-(phenylseleneyl)-5,alpha.H,4,6,11.beta.H-eudesman-12,6-olide
SpectraBase Compound ID C8NoMlo44mp
InChI InChI=1S/C23H28O5Se/c1-13-17-9-10-23(12-27-15(3)24)11-18(29-16-7-5-4-6-8-16)20(25)14(2)19(23)21(17)28-22(13)26/h4-8,13-14,17-19,21H,9-12H2,1-3H3/t13-,14-,17?,18+,19+,21-,23-/m0/s1
InChIKey ZMKMQCWYKZIUFN-OFVGLBOFSA-N
Mol Weight 463.44 g/mol
Molecular Formula C23H28O5Se
Exact Mass 464.110196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICSHMt6P5Y7
Name 3-Oxo-14-acetoxy-2.alpha.-(phenylseleneyl)-5,alpha.H,4,6,11.beta.H-eudesman-12,6-olide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O5Se
InChI InChI=1S/C23H28O5Se/c1-13-17-9-10-23(12-27-15(3)24)11-18(29-16-7-5-4-6-8-16)20(25)14(2)19(23)21(17)28-22(13)26/h4-8,13-14,17-19,21H,9-12H2,1-3H3/t13-,14-,17?,18+,19+,21-,23-/m0/s1
InChIKey ZMKMQCWYKZIUFN-OFVGLBOFSA-N
Molecular Weight 463.444 g/mol
SMILES [C@]12(OC(=O)[C@](C2CC[C@@]2([C@@]1([C@@](C([C@]([Se]c1ccccc1)(C2)[H])=O)(C)[H])[H])COC(=O)C)(C)[H])[H]
SPLASH splash10-01ot-0490700000-58e7812ced994d806b8f
Source of Spectrum J-59-6402-32
Synonyms ((3S,7R,9aS)-3,9-dimethyl-2,8-dioxo-7-(phenylselanyl)decahydronaphtho[1,2-b]furan-5a(2H)-yl)methyl acetate Acetic acid (3S,5aR,7R,9S,9aS,9bS)-3,9-dimethyl-2,8-dioxo-7-phenylselanyl-decahydro-naphtho[1,2-b]furan-5a-ylmethyl ester Acetic acid [(3S,5aR,7R,9S,9aS,9bS)-3,9-dimethyl-2,8-dioxo-7-(phenylseleno)-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g]benzofuran-5a-yl]methyl ester [(3S,5aR,7R,9S,9aS,9bS)-3,9-dimethyl-2,8-dioxo-7-phenylselanyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-5a-yl]methyl acetate [(3S,5aR,7R,9S,9aS,9bS)-3,9-dimethyl-2,8-dioxo-7-phenylselanyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g]benzofuran-5a-yl]methyl acetate [(3S,5aR,7R,9S,9aS,9bS)-3,9-dimethyl-2,8-bis(oxidanylidene)-7-phenylselanyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-5a-yl]methyl ethanoate
Wiley ID 1391436