Chem
J-GLOBAL ID:200907088623362820
Nikkaji number:J2.641.532B
16α,17β,19-Trihydroxyandrosta-4-ene-3-one
16α,17β,19-トリヒドロキシアンドロスタ-4-エン-3-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:
C19 H28 O4
Molecular formula furigana:
C19-H28-O4
Molecular weight:
320.429
InChI:
InChI=1S/C19H28O4/c1-18-6-5-14-13(15(18)9-16(22)17(18)23)3-2-11-8-12(21)4-7-19(11,14)10-20/h8,13-17,20,22-23H,2-7,9-10H2,1H3/t13-,14+,15+,16-,17+,18+,19-/m1/s1
InChI key:
ZOZSWYOZKQMJNX-GJWDPZFISA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1C[C@@H](O)[C@@H]2O
Systematic name (3):
16α,17β,19-トリヒドロキシアンドロスタ-4-エン-3-オン
(1R,2R,3aS,3bR,9aS,9bS,11aS)-1,2-ジヒドロキシ-9a-(ヒドロキシメチル)-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
(1R,2R,3aS,3bR,9aS,9bS,11aS)-1,2-dihydroxy-9a-(hydroxymethyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1):
16α,17β,19-Trihydroxyandrosta-4-ene-3-one
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