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5β-Pregnan-3,20-dione
SpectraBase Compound ID 6KaL5qKLtXZ
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey XMRPGKVKISIQBV-XWOJZHJZSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ec0EmjxkBrn
Name 17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) 17-ethanoyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 3,20-Allopregnanedione 3,20-Dioxo-5.alpha.-pregnane 3,20-Pregnanedione Pregnane-3,20-dione 5.alpha.-Pregnan-3,20-dione Pregnane-3,20-dione, (5.beta.)- 5.beta.-Dihydroprogesterone 5.beta.-Pregnan-3,20-dione 5.beta.-Pregnane-3,20-dione Pregnane-3,20-dione, (5.alpha.)- Allopregnan-3,20-dione Dihydroprogesterone Pregnan-3,20-dione Pregnane-3,20-dione, (5-alpha)- Pregnane-3,20-dione, (5beta)- Pregnanedione BRN 2058506 EINECS 209-297-3 NSC 18319 NSC 82868
CAS Registry Number 128-23-4
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Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey XMRPGKVKISIQBV-XWOJZHJZSA-N
Molecular Weight 316.485 g/mol
SMILES [C@]12([C@]([C@]3([C@]([C@@]4([C@](CC(CC4)=O)([H])CC3)C)([H])CC1)[H])(CC[C@@]2(C(=O)C)[H])[H])C
SPLASH splash10-00di-3931000000-2292aaacb204abbc9c78
Source of Spectrum CJ-1992-0-0
Wiley ID 1313887