Chem
J-GLOBAL ID：200907088337556870   Nikkaji number：J1.338.932B

(1S)-1,4-Carbonyl-2β-(methylthiocarbonylthiomethyl)-1,2,3,4-tetrahydrotriphenylene-1β,4β-dicarboxylic acid dimethyl ester

(1S)-1,4-カルボニル-2β-(メチルチオカルボニルチオメチル)-1,2,3,4-テトラヒドロトリフェニレン-1β,4β-ジカルボン酸ジメチル
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： C26H22O6S2
Molecular formula furigana： C26-H22-O6-S2
Molecular weight： 494.580
InChI： InChI=1S/C26H22O6S2/c1-31-22(28)25-12-14(13-34-24(30)33-3)26(21(25)27,23(29)32-2)20-18-11-7-5-9-16(18)15-8-4-6-10-17(15)19(20)25/h4-11,14H,12-13H2,1-3H3/t14-,25-,26+/m1/s1
InChI key： BAGOMTBIHPOWRU-UJPRLREXSA-N
SMILES： COC(=O)[C@@]12C[C@H](CSC(=O)SC)[C@@](C(=O)OC)(C1=O)c1c2c2ccccc2c2ccccc12
Systematic name  (3)：
  • (1S)-1,4-カルボニル-2β-(メチルチオカルボニルチオメチル)-1,2,3,4-テトラヒドロトリフェニレン-1β,4β-ジカルボン酸ジメチル
  • 1,16-ジメチル (1R,16S,17S)-17-({[(メチルスルファニル)カルボニル]スルファニル}メチル)-19-オキソペンタシクロ[14.2.1.02,15.03,8.09,14]ノナデカ-2(15),3,5,7,9,11,13-ヘプタエン-1,16-ジカルボキシラート
  • 1,16-dimethyl (1R,16S,17S)-17-({[(methylsulfanyl)carbonyl]sulfanyl}methyl)-19-oxopentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3,5,7,9,11,13-heptaene-1,16-dicarboxylate
Other name (1)：
  • (1S)-1,4-Carbonyl-2β-(methylthiocarbonylthiomethyl)-1,2,3,4-tetrahydrotriphenylene-1β,4β-dicarboxylic acid dimethyl ester
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