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3.alpha.-acetoxy-5.beta.-pregnan-11-one
SpectraBase Compound ID 4sUyWNJkZdu
InChI InChI=1S/C23H36O3/c1-5-15-7-9-19-18-8-6-16-12-17(26-14(2)24)10-11-22(16,3)21(18)20(25)13-23(15,19)4/h15-19,21H,5-13H2,1-4H3/t15-,16+,17+,18-,19-,21+,22-,23+/m0/s1
InChIKey KYOSVBVRSIAGAV-LDZVTSBZSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bdkh0m00mc6
Name 3.alpha.-acetoxy-5.beta.-pregnan-11-one
CAS Registry Number 95671-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-5-15-7-9-19-18-8-6-16-12-17(26-14(2)24)10-11-22(16,3)21(18)20(25)13-23(15,19)4/h15-19,21H,5-13H2,1-4H3/t15-,16+,17+,18-,19-,21+,22-,23+/m0/s1
InChIKey KYOSVBVRSIAGAV-LDZVTSBZSA-N
Molecular Weight 360.538 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1(CC)[H])[H])C
SPLASH splash10-0pb9-0094000000-3bb25072a3575b94c982
Source of Spectrum J-55-2175-32
Synonyms (3alpha,5beta)-11-oxopregnan-3-yl acetate
Wiley ID 1348660