Chem
J-GLOBAL ID：200907075846899111
Nikkaji number：J1.753.732F
(2S)-1-(1,3-Dithiane-2-yl)-2-(2-hydroxyethoxy)-2β,10β-epoxy-7-methoxy-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-4aα-carbonitrile
(2S)-1-(1,3-ジチアン-2-イル)-2-(2-ヒドロキシエトキシ)-2β,10β-エポキシ-7-メトキシ-1,2,3,4,4a,9,10,10aα-オクタヒドロフェナントレン-4aα-カルボニトリル
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： C22H27NO4S2
Molecular formula furigana： C22-H27-N-O4-S2
Molecular weight： 433.580
InChI：
InChI=1S/C22H27NO4S2/c1-25-15-3-4-16-14(11-15)12-17-18-19(20-28-9-2-10-29-20)22(27-17,26-8-7-24)6-5-21(16,18)13-23/h3-4,11,17-20,24H,2,5-10,12H2,1H3/t17-,18+,19?,21-,22+/m1/s1
InChI key：
HAWRZAIKRNYIQP-JLKUDJSFSA-N
SMILES：
COc1ccc2c(C[C@H]3O[C@]4(CC[C@]2(C#N)[C@@H]3C4C2SCCCS2)OCCO)c1
Systematic name (3)：
- (2S)-1-(1,3-ジチアン-2-イル)-2-(2-ヒドロキシエトキシ)-2β,10β-エポキシ-7-メトキシ-1,2,3,4,4a,9,10,10aα-オクタヒドロフェナントレン-4aα-カルボニトリル
- (1R,9S,12S,14S)-13-(1,3-ジチアン-2-イル)-12-(2-ヒドロキシエトキシ)-5-メトキシ-15-オキサテトラシクロ[10.2.1.03,8.09,14]ペンタデカ-3,5,7-トリエン-9-カルボニトリル
- (1R,9S,12S,14S)-13-(1,3-dithian-2-yl)-12-(2-hydroxyethoxy)-5-methoxy-15-oxatetracyclo[10.2.1.03,8.09,14]pentadeca-3,5,7-triene-9-carbonitrile
- (2S)-1-(1,3-Dithiane-2-yl)-2-(2-hydroxyethoxy)-2β,10β-epoxy-7-methoxy-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-4aα-carbonitrile
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