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3b-acetoxy-5a-pregnan-16a-ol-11-one
SpectraBase Compound ID 36MVqYL3OLZ
InChI InChI=1S/C23H36O4/c1-5-17-19(25)11-18-16-7-6-14-10-15(27-13(2)24)8-9-22(14,3)21(16)20(26)12-23(17,18)4/h14-19,21,25H,5-12H2,1-4H3/t14-,15-,16-,17-,18-,19+,21+,22-,23+/m0/s1
InChIKey MPIMABOXGJZHPG-FNUKNURTSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0Lp1kLHpsa
Name 3b-acetoxy-5a-pregnan-16a-ol-11-one
Alternate Name(s) (3beta,5alpha,16alpha)-16-hydroxy-11-oxopregnan-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-5-17-19(25)11-18-16-7-6-14-10-15(27-13(2)24)8-9-22(14,3)21(16)20(26)12-23(17,18)4/h14-19,21,25H,5-12H2,1-4H3/t14-,15-,16-,17-,18-,19+,21+,22-,23+/m0/s1
InChIKey MPIMABOXGJZHPG-FNUKNURTSA-N
Molecular Weight 376.537 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(C1)[H])C)(CC)[H])[H]
SPLASH splash10-014i-7954000000-f017b8e6cb69cfa0e1fe
Source of Spectrum SD-1992-0-0
Wiley ID 1357964