Chem
J-GLOBAL ID:201307028471700562
Nikkaji number:J3.127.577F
17-Ethynylestra-1(10),2,4-triene-3,17-diol
17-エチニルエストラ-1(10),2,4-トリエン-3,17-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 H24 O2
Molecular formula furigana:
C20-H24-O2
Molecular weight:
296.410
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
InChI key:
BFPYWIDHMRZLRN-WYGKVCCSSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2(O)C#C
Systematic name (3):
17-エチニルエストラ-1(10),2,4-トリエン-3,17-ジオール
(3aS,3bR,9bS,11aS)-1-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
(3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1):
17-Ethynylestra-1(10),2,4-triene-3,17-diol
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