Chem
J-GLOBAL ID：200907001593136228
Nikkaji number：J2.260.787A
17α-(2H3)Methyl-2′H-5α-androsta-2-eno[3,2-c]pyrazole-5′,17β-diol
17α-(2H3)メチル-2′H-5α-アンドロスタ-2-エノ[3,2-c]ピラゾール-5′,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： C21H29[2H]3N2O2
Molecular formula furigana： C21-H32-N2-O2
Molecular weight： 347.517
InChI：
InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1/i3D3
InChI key：
SWPAIUOYLTYQKK-QBWIDERFSA-N
SMILES：
C([2H])([2H])([2H])[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5[nH]nc(O)c5C[C@]4(C)[C@H]3CC[C@]12C
Systematic name (3)：
- 17α-(2H3)メチル-2′H-5α-アンドロスタ-2-エノ[3,2-c]ピラゾール-5′,17β-ジオール
- (1S,2S,10S,13R,14S,17S,18S)-17-(2H3)メチル-2,18-ジメチル-6,7-ジアザペンタシクロ[11.7.0.02,10.04,8.014,18]イコサ-4(8),5-ジエン-5,17-ジオール
- (1S,2S,10S,13R,14S,17S,18S)-17-(2H3)methyl-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-diene-5,17-diol
- 17α-(2H3)Methyl-2′H-5α-androsta-2-eno[3,2-c]pyrazole-5′,17β-diol
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