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(22R,24S)-22-Acetoxy-24,25-epoxyergosta-1,4,6-triene-3-one

View entire compound with spectra: 1 MS (GC)

(22R,24S)-22-Acetoxy-24,25-epoxyergosta-1,4,6-triene-3-one
SpectraBase Compound ID Ew67NiG04vN
InChI InChI=1S/C30H42O4/c1-18(26(33-19(2)31)17-30(7)27(3,4)34-30)23-10-11-24-22-9-8-20-16-21(32)12-14-28(20,5)25(22)13-15-29(23,24)6/h8-9,12,14,16,18,22-26H,10-11,13,15,17H2,1-7H3/t18-,22-,23+,24-,25-,26+,28-,29+,30-/m0/s1
InChIKey IUYISIKDKVVWSZ-GORIDPQSSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhikAjfMXkH
Name (22R,24S)-22-Acetoxy-24,25-epoxyergosta-1,4,6-triene-3-one
Alternate Name(s) (2R,3S)-3-[(1S,2R,10S,11S,14R,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-3,6,8-trien-14-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl acetate Acetic acid[(1R,2S)-2-[(8S,9S,10R,13S,14S,17R)-3-keto-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-[[(2S)-2,3,3-trimethyloxiran-2-yl]methyl]propyl]ester Acetic acid[(2R,3S)-3-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyl-2-oxiranyl]butan-2-yl]ester [(1R,2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-[[(2S)-2,3,3-trimethyloxiran-2-yl]methyl]propyl]acetate [(2R,3S)-3-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanylidene-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl]ethanoate [(2R,3S)-3-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl]acetate Acetic acid [(2R,3S)-3-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyl-2-oxiranyl]butan-2-yl] ester [(2R,3S)-3-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl] acetate [(1R,2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-[[(2S)-2,3,3-trimethyloxiran-2-yl]methyl]propyl] acetate [(2R,3S)-3-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanylidene-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl] ethanoate
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Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-18(26(33-19(2)31)17-30(7)27(3,4)34-30)23-10-11-24-22-9-8-20-16-21(32)12-14-28(20,5)25(22)13-15-29(23,24)6/h8-9,12,14,16,18,22-26H,10-11,13,15,17H2,1-7H3/t18-,22-,23+,24-,25-,26+,28-,29+,30-/m0/s1
InChIKey IUYISIKDKVVWSZ-GORIDPQSSA-N
Molecular Weight 466.662 g/mol
SMILES C1(C=C[C@]2(C(=C1)C=C[C@]1([C@@]3(CC[C@]([C@@]([C@@](C[C@@]4(C)C(C)(C)O4)(OC(=O)C)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)=O
SPLASH splash10-03di-0900000000-c6e46cff24a4cc2d875f
Source of Spectrum J-67-4665-34
Wiley ID 1570171