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17.alpha.-Hydroxy-21-bromo-19-norpregna-4,9-diene-3,20-dione
SpectraBase Compound ID 8wWmFewlfXT
InChI InChI=1S/C20H25BrO3/c1-19-8-6-15-14-5-3-13(22)10-12(14)2-4-16(15)17(19)7-9-20(19,24)18(23)11-21/h10,16-17,24H,2-9,11H2,1H3/t16-,17+,19+,20+/m1/s1
InChIKey INMIMIAGDQNJBR-UMGGQSCQSA-N
Mol Weight 393.32 g/mol
Molecular Formula C20H25BrO3
Exact Mass 392.098708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cls39MF1Onr
Name 17.alpha.-Hydroxy-21-bromo-19-norpregna-4,9-diene-3,20-dione
Appearance Off-white powder
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Formula C20H25BrO3
InChI InChI=1S/C20H25BrO3/c1-19-8-6-15-14-5-3-13(22)10-12(14)2-4-16(15)17(19)7-9-20(19,24)18(23)11-21/h10,16-17,24H,2-9,11H2,1H3/t16-,17+,19+,20+/m1/s1
InChIKey INMIMIAGDQNJBR-UMGGQSCQSA-N
Ionization Type EI
Molecular Weight 393.321 g/mol
SMILES O[C@@]1(CC[C@]2([C@@]3(CCC4=CC(CCC4=C3CC[C@]12C)=O)[H])[H])C(=O)CBr
SPLASH splash10-08fu-5609000000-fd10adb5c0a40f3fd908
Source of Spectrum US20100113408A1
Wiley ID 1842249