Chem
J-GLOBAL ID:200907001593136228
Nikkaji number:J2.260.787A
17α-(2 H3 )Methyl-2′H-5α-androsta-2-eno[3,2-c]pyrazole-5′,17β-diol
17α-(2 H3 )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
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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:
C21 H29 [2 H]3 N2 O2
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-(2 H3 )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-(2 H3 )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-(2 H3 )methyl-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10 .04,8 .014,18 ]icosa-4(8),5-diene-5,17-diol
Other name (1):
17α-(2 H3 )Methyl-2′H-5α-androsta-2-eno[3,2-c]pyrazole-5′,17β-diol
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