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2'-(3.alpha.-Hydroxy-24-norcholan-23-yl)-4',4'-dimethyl-4',5'-dihydrooxazole
SpectraBase Compound ID Ih1e89DPlB1
InChI InChI=1S/C28H47NO2/c1-18(6-11-25-29-26(2,3)17-31-25)22-9-10-23-21-8-7-19-16-20(30)12-14-27(19,4)24(21)13-15-28(22,23)5/h18-24,30H,6-17H2,1-5H3/t18-,19?,20-,21+,22-,23+,24+,27+,28-/m1/s1
InChIKey IWBRPFCTPVMWIJ-JUGALPEUSA-N
Mol Weight 429.7 g/mol
Molecular Formula C28H47NO2
Exact Mass 429.36068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ofxWrP7G2N
Name 2'-(3.alpha.-Hydroxy-24-norcholan-23-yl)-4',4'-dimethyl-4',5'-dihydrooxazole
Alternate Name(s) (1S,2S,5R,10R,11S,14R,15R)-14-[(2R)-4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-ol
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Formula C28H47NO2
InChI InChI=1S/C28H47NO2/c1-18(6-11-25-29-26(2,3)17-31-25)22-9-10-23-21-8-7-19-16-20(30)12-14-27(19,4)24(21)13-15-28(22,23)5/h18-24,30H,6-17H2,1-5H3/t18-,19?,20-,21+,22-,23+,24+,27+,28-/m1/s1
InChIKey IWBRPFCTPVMWIJ-JUGALPEUSA-N
Molecular Weight 429.689 g/mol
SMILES O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](CCC1=NC(C)(C)CO1)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-03fr-0900000000-b7fa0b0f2b2d7f5a9bbc
Source of Spectrum F-48-142-2
Wiley ID 1381266