Chem
J-GLOBAL ID：200907055348485759
Nikkaji number：J1.894.224K
17-[1-[(2S)-2,3-Dihydroxypropyl]-1H-1,2,3-triazole-4-yl]estra-1,3,5(10)-triene-17β-ol
17-[1-[(2S)-2,3-ジヒドロキシプロピル]-1H-1,2,3-トリアゾール-4-イル]エストラ-1,3,5(10)-トリエン-17β-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： C23H31N3O3
Molecular formula furigana： C23-H31-N3-O3
Molecular weight： 397.519
InChI：
InChI=1S/C23H31N3O3/c1-22-10-8-18-17-5-3-2-4-15(17)6-7-19(18)20(22)9-11-23(22,29)21-13-26(25-24-21)12-16(28)14-27/h2-5,13,16,18-20,27-29H,6-12,14H2,1H3/t16-,18+,19+,20-,22-,23+/m0/s1
InChI key：
UEXUKXKAAQCLQV-WLDUAMHGSA-N
SMILES：
C[C@]12CC[C@H]3[C@@H](CCc4ccccc34)[C@@H]1CC[C@@]2(O)c1cn(C[C@H](O)CO)nn1
Systematic name (3)：
- 17-[1-[(2S)-2,3-ジヒドロキシプロピル]-1H-1,2,3-トリアゾール-4-イル]エストラ-1,3,5(10)-トリエン-17β-オール
- (2S)-3-{4-[(1S,3aS,3bR,9bS,11aS)-1-ヒドロキシ-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-イル]-1H-1,2,3-トリアゾール-1-イル}プロパン-1,2-ジオール
- (2S)-3-{4-[(1S,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1H-1,2,3-triazol-1-yl}propane-1,2-diol
- 17-[1-[(2S)-2,3-Dihydroxypropyl]-1H-1,2,3-triazole-4-yl]estra-1,3,5(10)-triene-17β-ol
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