Chem
J-GLOBAL ID：200907051719451237   Nikkaji number：J1.792.646B

(2aR)-4-[[(Methylthio)carbonyloxy]methyl]-5α-(β-D-glucopyranosyloxy)-7α-methoxy-2aα,4aα,5,7,7aα,7bα-hexahydro-1H-2,6-dioxacyclopenta[cd]indene-1-one

(2aR)-4-[[(メチルチオ)カルボニルオキシ]メチル]-5α-(β-D-グルコピラノシルオキシ)-7α-メトキシ-2aα,4aα,5,7,7aα,7bα-ヘキサヒドロ-1H-2,6-ジオキサシクロペンタ[cd]インデン-1-オン
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： C19H26O12S
Molecular formula furigana： C19-H26-O12-S
Molecular weight： 478.470
InChI： InChI=1S/C19H26O12S/c1-26-16-11-10-7(28-15(11)24)3-6(5-27-19(25)32-2)9(10)17(30-16)31-18-14(23)13(22)12(21)8(4-20)29-18/h3,7-14,16-18,20-23H,4-5H2,1-2H3/t7-,8+,9+,10-,11+,12+,13-,14+,16-,17-,18-/m0/s1
InChI key： MBBUILKXOUSLOG-MVRWOANUSA-N
SMILES： CO[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]3[C@@H](OC(=O)[C@H]13)C=C2COC(=O)SC
Systematic name  (3)：
  • (2aR)-4-[[(メチルチオ)カルボニルオキシ]メチル]-5α-(β-D-グルコピラノシルオキシ)-7α-メトキシ-2aα,4aα,5,7,7aα,7bα-ヘキサヒドロ-1H-2,6-ジオキサシクロペンタ[cd]インデン-1-オン
  • (1S,4R,7S,8S,10S,11S)-10-メトキシ-6-({[(メチルスルファニル)カルボニル]オキシ}メチル)-8-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,9-ジオキサトリシクロ[5.3.1.04,11]ウンデカ-5-エン-2-オン
  • (1S,4R,7S,8S,10S,11S)-10-methoxy-6-({[(methylsulfanyl)carbonyl]oxy}methyl)-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.04,11]undec-5-en-2-one
Other name (1)：
  • (2aR)-4-[[(Methylthio)carbonyloxy]methyl]-5α-(β-D-glucopyranosyloxy)-7α-methoxy-2aα,4aα,5,7,7aα,7bα-hexahydro-1H-2,6-dioxacyclopenta[cd]indene-1-one
Thsaurus map：
Thesaurus Map

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