Chem
J-GLOBAL ID：201207081271912299   Nikkaji number：J3.018.095J

11β,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione

11β,17,21-トリヒドロキシ-6-メチルプレグナ-1,4-ジエン-3,20-ジオン
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： C22H30O5
Molecular formula furigana： C22-H30-O5
Molecular weight： 374.477
InChI： InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1
InChI key： VHRSUDSXCMQTMA-UWKORSIYSA-N
SMILES： CC1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
Systematic name  (3)：
  • 11β,17,21-トリヒドロキシ-6-メチルプレグナ-1,4-ジエン-3,20-ジオン
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-ジヒドロキシ-1-(2-ヒドロキシアセチル)-5,9a,11a-トリメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(2-hydroxyacetyl)-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1)：
  • 11β,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione
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