Chem
J-GLOBAL ID：201707001346479425
Nikkaji number：J3.561.425G
17-[(2-2H)Ethyne-1-yl]estra-1,3,5(10)-triene-3,17β-diol
17-[(2-2H)エチン-1-イル]エストラ-1,3,5(10)-トリエン-3,17β-ジオール
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
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
Molecular formula： C20H23[2H]O2
Molecular formula furigana： C20-H24-O2
Molecular weight： 297.416
InChI：
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1/i1D
InChI key：
BFPYWIDHMRZLRN-SXEKNGHGSA-N
SMILES：
C(#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)[2H]
Systematic name (3)：
- 17-[(2-2H)エチン-1-イル]エストラ-1,3,5(10)-トリエン-3,17β-ジオール
- (1S,3aS,3bR,9bS,11aS)-1-[(2-2H)エチニル]-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,3bR,9bS,11aS)-1-[(2-2H)ethynyl]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
- 17-[(2-2H)Ethyne-1-yl]estra-1,3,5(10)-triene-3,17β-diol
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