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3.beta.-Acetoxypregn-7-en-6,20-dione
SpectraBase Compound ID FHVE0oy5r0B
InChI InChI=1S/C23H32O4/c1-13(24)17-5-6-18-16-12-21(26)20-11-15(27-14(2)25)7-9-23(20,4)19(16)8-10-22(17,18)3/h12,15,17-20H,5-11H2,1-4H3/t15-,17+,18-,19?,20+,22+,23+/m0/s1
InChIKey CUKCJSQHTVMZLC-ISFGESDQSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0x4dYlaefK
Name 3.beta.-Acetoxypregn-7-en-6,20-dione
Alternate Name(s) (3beta)-6,20-dioxopregn-7-en-3-yl acetate
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Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-13(24)17-5-6-18-16-12-21(26)20-11-15(27-14(2)25)7-9-23(20,4)19(16)8-10-22(17,18)3/h12,15,17-20H,5-11H2,1-4H3/t15-,17+,18-,19?,20+,22+,23+/m0/s1
InChIKey CUKCJSQHTVMZLC-ISFGESDQSA-N
Molecular Weight 372.505 g/mol
SMILES C1=2C([C@]3(CC[C@](OC(=O)C)(C[C@@]3(C(C2)=O)[H])[H])C)CC[C@]2([C@]1(CC[C@@]2(C(=O)C)[H])[H])C
SPLASH splash10-03k9-0039000000-4638666628126d77e227
Source of Spectrum F-49-8602-12
Wiley ID 788316