Chem
J-GLOBAL ID：201007010472237833   Nikkaji number：J2.792.296A

20-Oxo-5β-pregnane-3α,12α-diol diacetate

20-オキソ-5β-プレグナン-3α,12α-ジオールジアセタート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C25H38O5
Molecular formula furigana： C25-H38-O5
Molecular weight： 418.574
InChI： InChI=1S/C25H38O5/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)22(19)13-23(25(20,21)5)30-16(3)28/h17-23H,6-13H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
InChI key： VYZPGMGWYUEREY-LCLDLZHKSA-N
SMILES： CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)C)[C@@]4(C)[C@H](C[C@H]23)OC(=O)C)C1
Systematic name  (4)：
  • 3α,12α-ジヒドロキシ-5β-プレグナン-20-オンジアセタート
  • 20-オキソ-5β-プレグナン-3α,12α-ジオールジアセタート
  • (1S,3aS,3bR,5aR,7R,9aS,9bS,11S,11aS)-1-アセチル-7-(アセチルオキシ)-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-11-イル アセタート
  • (1S,3aS,3bR,5aR,7R,9aS,9bS,11S,11aS)-1-acetyl-7-(acetyloxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl acetate
Other name (3)：
  • 3α,12α-Dihydroxy-5β-pregnane-20-one diacetate
  • 3α,12α-Dihydroxy-5β-pregnan-20-one diacetate
  • 20-Oxo-5β-pregnane-3α,12α-diol diacetate
KEGG COMPOUND： C15272
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