Chem
J-GLOBAL ID：200907016733245879   Nikkaji number：J696.162B

(3R,5aα,8aα,12aR)-3,6α,9β-Trimethyl-10α-(phenylthio)-3β,12α-epoxydecahydropyrano[4,3-j]-1,2-benzodioxepin

(3R,5aα,8aα,12aR)-3,6α,9β-トリメチル-10α-(フェニルチオ)-3β,12α-エポキシデカヒドロピラノ[4,3-j]-1,2-ベンゾジオキセピン
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： C21H28O4S
Molecular formula furigana： C21-H28-O4-S
Molecular weight： 376.510
InChI： InChI=1S/C21H28O4S/c1-13-9-10-17-14(2)18(26-15-7-5-4-6-8-15)22-19-21(17)16(13)11-12-20(3,23-19)24-25-21/h4-8,13-14,16-19H,9-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,21-/m1/s1
InChI key： KGTASLZVWISSEZ-USQNQNMXSA-N
SMILES： C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)Sc1ccccc1
Systematic name  (4)：
  • [[[(3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-トリメチル-3β,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン]-10α-イル]チオ]ベンゼン
  • (3R,5aα,8aα,12aR)-3,6α,9β-トリメチル-10α-(フェニルチオ)-3β,12α-エポキシデカヒドロピラノ[4,3-j]-1,2-ベンゾジオキセピン
  • (1R,4S,5R,8S,9R,10S,12S,13R)-1,5,9-トリメチル-10-(フェニルスルファニル)-11,14,15,16-テトラオキサテトラシクロ[10.3.1.04,13.08,13]ヘキサデカン
  • (1R,4S,5R,8S,9R,10S,12S,13R)-1,5,9-trimethyl-10-(phenylsulfanyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Other name (2)：
  • [[[(3R,5aα,8aα,12aR)-Decahydro-3,6α,9β-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-10α-yl]thio]benzene
  • (3R,5aα,8aα,12aR)-3,6α,9β-Trimethyl-10α-(phenylthio)-3β,12α-epoxydecahydropyrano[4,3-j]-1,2-benzodioxepin
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