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2'-(3.alpha.-Benzyloxy-24-norcholan-23-yl)-2',4',4'-trimethyl-4',5'-dihydrooxazoline-N-oxyl
SpectraBase Compound ID DDDJXg6Zfnw
InChI InChI=1S/C36H56NO3/c1-25(16-21-36(6)37(38)33(2,3)24-40-36)30-14-15-31-29-13-12-27-22-28(39-23-26-10-8-7-9-11-26)17-19-34(27,4)32(29)18-20-35(30,31)5/h7-11,25,27-32H,12-24H2,1-6H3/t25-,27-,28-,29+,30-,31+,32+,34+,35-,36?/m1/s1
InChIKey BVMQIHVSROSKFY-SXOBAJDXSA-N
Mol Weight 551.9 g/mol
Molecular Formula C36H57NO3
Exact Mass 551.433845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwNNHU1Ekjq
Name 2'-(3.alpha.-Benzyloxy-24-norcholan-23-yl)-2',4',4'-trimethyl-4',5'-dihydrooxazoline-N-oxyl
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Formula C36H56NO3
InChI InChI=1S/C36H56NO3/c1-25(16-21-36(6)37(38)33(2,3)24-40-36)30-14-15-31-29-13-12-27-22-28(39-23-26-10-8-7-9-11-26)17-19-34(27,4)32(29)18-20-35(30,31)5/h7-11,25,27-32H,12-24H2,1-6H3/t25-,27-,28-,29+,30-,31+,32+,34+,35-,36?/m1/s1
InChIKey BVMQIHVSROSKFY-SXOBAJDXSA-N
Molecular Weight 551.856 g/mol
SMILES ON1C(CC[C@]([C@@]2([C@@]3([C@]([C@@]4(CC[C@]5([C@@]([C@]4(CC3)[H])(CC[C@@](OCc3ccccc3)(C5)[H])C)[H])[H])(CC2)[H])C)[H])(C)[H])(OCC1(C)C)C
SPLASH splash10-01ox-9811530000-8722a00a5bb62b1f0c42
Source of Spectrum F-48-145-7
Wiley ID 1405788