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3.beta.-amino-1.beta.-hydroxy-5.alpha.-pregnane
SpectraBase Compound ID 2RXC6vnxXxA
InChI InChI=1S/C21H37NO/c1-4-13-6-8-17-16-7-5-14-11-15(22)12-19(23)21(14,3)18(16)9-10-20(13,17)2/h13-19,23H,4-12,22H2,1-3H3/t13-,14-,15+,16-,17-,18-,19+,20+,21-/m0/s1
InChIKey MSRWJWJFJPQWDI-WVFTZONGSA-N
Mol Weight 319.5 g/mol
Molecular Formula C21H37NO
Exact Mass 319.287515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INwtCp9Z7pa
Name 3.beta.-amino-1.beta.-hydroxy-5.alpha.-pregnane
Alternate Name(s) (1beta,3beta,5alpha)-3-aminopregnan-1-ol
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Formula C21H37NO
InChI InChI=1S/C21H37NO/c1-4-13-6-8-17-16-7-5-14-11-15(22)12-19(23)21(14,3)18(16)9-10-20(13,17)2/h13-19,23H,4-12,22H2,1-3H3/t13-,14-,15+,16-,17-,18-,19+,20+,21-/m0/s1
InChIKey MSRWJWJFJPQWDI-WVFTZONGSA-N
Molecular Weight 319.533 g/mol
SMILES O[C@@]1(C[C@@](C[C@@]2(CC[C@@]3([C@@]([C@@]12C)(CC[C@@]1([C@](CC[C@@]31[H])(CC)[H])C)[H])[H])[H])(N)[H])[H]
SPLASH splash10-00di-9100000000-49838b2ef0cd16bb7a3d
Source of Spectrum PL-1982-0-0
Wiley ID 1319546