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Pregnenolone
SpectraBase Compound ID 7VF8tP9VAJw
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey ORNBQBCIOKFOEO-OZIWPBGVSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E21bWqKziGd
Name 3-HYDROXYPREGN-5-EN-20-ONE
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Exact Mass 316.240230268 u
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey ORNBQBCIOKFOEO-OZIWPBGVSA-N
Molecular Weight 316.485 g/mol
Nominal Mass 316 u
Number of Peaks 223
SMILES OC1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])(C(C)=O)[H])C)[H])C
SPLASH splash10-0006-9620000000-b1615493e1063f5827c1
Source File Reference LMCM-91896-855F
Synonyms PREGNENOLON 1-[(1S,2R,10S,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]ethan-1-one
Wiley ID 8_5799