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24-norcholan-3-ol, 23-chloro-, acetate, (3.alpha.,5.beta.)-
SpectraBase Compound ID EPbOXq0UBQI
InChI InChI=1S/C25H41ClO2/c1-16(11-14-26)21-7-8-22-20-6-5-18-15-19(28-17(2)27)9-12-24(18,3)23(20)10-13-25(21,22)4/h16,18-23H,5-15H2,1-4H3/t16-,18-,19-,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey DNCWWUTVTHUEEC-KBQOZZBESA-N
Mol Weight 409.1 g/mol
Molecular Formula C25H41ClO2
Exact Mass 408.279508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0GaidzcPWc
Name 24-norcholan-3-ol, 23-chloro-, acetate, (3.alpha.,5.beta.)-
CAS Registry Number 99707-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H41ClO2
InChI InChI=1S/C25H41ClO2/c1-16(11-14-26)21-7-8-22-20-6-5-18-15-19(28-17(2)27)9-12-24(18,3)23(20)10-13-25(21,22)4/h16,18-23H,5-15H2,1-4H3/t16-,18-,19-,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey DNCWWUTVTHUEEC-KBQOZZBESA-N
Molecular Weight 409.054 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCCl)(C)[H])[H])[H])C
SPLASH splash10-0002-0029000000-962e94e2c53dfa713086
Source of Spectrum J-51-404-17
Synonyms (1S,2S,5R,7R,10R,11S,14R,15R)-14-[(2R)-4-chlorobutan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate
Wiley ID 1373102