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(20R)- and (20S)-24-Nor-5.alpha.-cholan-12-one
SpectraBase Compound ID 3Ij0l6PWYPy
InChI InChI=1S/C23H38O/c1-5-15(2)18-11-12-19-17-10-9-16-8-6-7-13-22(16,3)20(17)14-21(24)23(18,19)4/h15-20H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20-,22-,23+/m0/s1
InChIKey GDTINKNGGNGFIQ-JCBWCNRASA-N
Mol Weight 330.6 g/mol
Molecular Formula C23H38O
Exact Mass 330.292266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2efwB8LIhcE
Name (20R)- and (20S)-24-Nor-5.alpha.-cholan-12-one
Alternate Name(s) 24-Norcholan-12-one, (5.alpha.,20S)- (1S,2S,7R,10R,11S,14R,15R)-14-[(2S)-butan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-16-one 20S-5.alpha.-Cholan-12-one
CAS Registry Number 86708-92-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O
InChI InChI=1S/C23H38O/c1-5-15(2)18-11-12-19-17-10-9-16-8-6-7-13-22(16,3)20(17)14-21(24)23(18,19)4/h15-20H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20-,22-,23+/m0/s1
InChIKey GDTINKNGGNGFIQ-JCBWCNRASA-N
Molecular Weight 330.556 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2=O)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@](CC)(C)[H])[H])[H])C
SPLASH splash10-001i-2029000000-0656241ac0b02b581a0b
Source of Spectrum AN-92-161-0
Wiley ID 1328398