Chem
J-GLOBAL ID:200907063592645108
Nikkaji number:J353.578I
11β-Ethylestradiol
11β-エチルエストラジオール
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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:
C20 H28 O2
Molecular formula furigana:
C20-H28-O2
Molecular weight:
300.442
InChI:
InChI=1S/C20H28O2/c1-3-12-11-20(2)17(8-9-18(20)22)16-6-4-13-10-14(21)5-7-15(13)19(12)16/h5,7,10,12,16-19,21-22H,3-4,6,8-9,11H2,1-2H3/t12-,16-,17-,18-,19+,20-/m0/s1
InChI key:
QUXNMGWLKZIPHL-QCUBTISBSA-N
SMILES:
CC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12
Systematic name (5):
11β-エチルエストラ-1,3,5(10)-トリエン-3,17β-ジオール
11β-エチル-17β-エストラジオール
11β-エチルエストラジオール
(1S,3aS,3bS,9bS,10S,11aS)-10-エチル-11a-メチル-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,3bS,9bS,10S,11aS)-10-ethyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1):
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