Chem
J-GLOBAL ID:200907080018604080
Nikkaji number:J787.050G
4-Nitroestradiol
4-ニトロエストラジオール
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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:
C18 H23 [N+]O3 [O-]
Molecular formula furigana:
C18-H23-N-O4
Molecular weight:
317.385
InChI:
InChI=1S/C18H23NO4/c1-18-9-8-11-10-4-6-15(20)17(19(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1
InChI key:
OMZSNIQSXZEIKB-ZHIYBZGJSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4[N+](=O)[O-])[C@@H]1CC[C@@H]2O
Systematic name (4):
4-ニトロエストラ-1,3,5(10)-トリエン-3,17β-ジオール
4-ニトロ-17β-エストラジオール
(1S,3aS,3bR,9bS,11aS)-11a-メチル-6-ニトロ-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,7-ジオール
(1S,3aS,3bR,9bS,11aS)-11a-methyl-6-nitro-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (4):
4-Nitro-17β-estradiol
4-Nitroestra-1,3,5(10)-triene-3,17β-diol
4-Nitroestradiol
4-ニトロエストラジオール
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