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Pregnenolone acetate 20-ethylene ketal
SpectraBase Compound ID 9mULnT7wMHW
InChI InChI=1S/C25H38O4/c1-16(26)29-18-9-11-23(2)17(15-18)5-6-19-20-7-8-22(25(4)27-13-14-28-25)24(20,3)12-10-21(19)23/h5,18-22H,6-15H2,1-4H3/t18?,19-,20-,21-,22-,23-,24-/m0/s1
InChIKey JTGMSUPPBUWABK-KTNWBPJDSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuuidU4wO1t
Name Pregnenolone acetate 20-ethylene ketal
Alternate Name(s) (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
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Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-16(26)29-18-9-11-23(2)17(15-18)5-6-19-20-7-8-22(25(4)27-13-14-28-25)24(20,3)12-10-21(19)23/h5,18-22H,6-15H2,1-4H3/t18?,19-,20-,21-,22-,23-,24-/m0/s1
InChIKey JTGMSUPPBUWABK-KTNWBPJDSA-N
Molecular Weight 402.575 g/mol
SMILES C1CC(CC2=CC[C@]3([C@@]4(CC[C@](C5(C)OCCO5)([C@@]4(C)CC[C@@]3([C@@]12C)[H])[H])[H])[H])OC(C)=O
SPLASH splash10-000i-9010000000-17a23230b4548c22fb5e
Source of Spectrum JX-2015-6-5746
Wiley ID 1729229