Chem
J-GLOBAL ID:200907093496000488
Nikkaji number:J241.155E
16β-Methyl-17,21-dihydroxypregna-1,4,9(11)-triene-3,20-dione
16β-メチル-17,21-ジヒドロキシプレグナ-1,4,9(11)-トリエン-3,20-ジオン
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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:
C22 H28 O4
Molecular formula furigana:
C22-H28-O4
Molecular weight:
356.462
InChI:
InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16+,18-,20-,21-,22-/m0/s1
InChI key:
ZYTXTXAMMDTYDQ-AKXKBWEISA-N
SMILES:
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
Systematic name (5):
17α,21-ジヒドロキシ-16β-メチルプレグナ-1,4,9(11)-トリエン-3,20-ジオン
17,21-ジヒドロキシ-16β-メチルプレグナ-1,4,9(11)-トリエン-3,20-ジオン
16β-メチル-17,21-ジヒドロキシプレグナ-1,4,9(11)-トリエン-3,20-ジオン
(1R,2S,3aS,3bS,9aS,11aS)-1-ヒドロキシ-1-(2-ヒドロキシアセチル)-2,9a,11a-トリメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
(1R,2S,3aS,3bS,9aS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (2):
17,21-Dihydroxy-16β-methylpregna-1,4,9(11)-triene-3,20-dione
16β-Methyl-17,21-dihydroxypregna-1,4,9(11)-triene-3,20-dione
CAS registry number:
13504-15-9
Regulation number (1):
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