Chem
J-GLOBAL ID：200907001288823134
Nikkaji number：J1.693.509C
3β-Hydroxy-androst-5-eno[16,17-d]-[1′H]-3′-thioloisoxazole
3β-ヒドロキシアンドロスタ-5-エノ[16,17-d]-[1′H]-3′-チオロイソオキサゾール
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： C20H27NO2S
Molecular formula furigana： C20-H27-N-O2-S
Molecular weight： 345.500
InChI：
InChI=1S/C20H27NO2S/c1-19-7-5-12(22)9-11(19)3-4-13-15(19)6-8-20(2)16(13)10-14-17(20)23-21-18(14)24/h3,12-13,15-16,22H,4-10H2,1-2H3,(H,21,24)/t12-,13+,15-,16-,19-,20-/m0/s1
InChI key：
SDXSDZWORHFWNS-HDFSJNALSA-N
SMILES：
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1Cc1c(S)noc21
Systematic name (3)：
- 3β-ヒドロキシ-3′-メルカプト-5α-アンドロスタ-16-エノ[16,17-d]イソオキサゾール-5-エン
- (1R,2S,9S,12S,13R,16S)-9,13-ジメチル-5-スルファニル-7-オキサ-6-アザペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-4(8),5,18-トリエン-16-オール
- (1R,2S,9S,12S,13R,16S)-9,13-dimethyl-5-sulfanyl-7-oxa-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,18-trien-16-ol
- 3β-Hydroxy-3′-mercapto-5α-androsta-16-eno[16,17-d]isoxazole-5-ene
- 3β-ヒドロキシアンドロスタ-5-エノ[16,17-d]-[1′H]-3′-チオロイソオキサゾール
- 3β-Hydroxy-androst-5-eno[16,17-d]-[1′H]-3′-thioloisoxazole
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