Chem
J-GLOBAL ID：201807005048501763   Nikkaji number：J3.677.250F

(2R)-2β-[(S)-1,5-Dimethyl-1-(methoxymethoxy)-4-hexenyl]-4aβ-methyl-6β-[1-(trifluoromethylsulfonyloxy)ethenyl]octahydropyrano[3,2-b]pyran

(2R)-2β-[(S)-1,5-ジメチル-1-(メトキシメトキシ)-4-ヘキセニル]-4aβ-メチル-6β-[1-(トリフルオロメチルスルホニルオキシ)エテニル]オクタヒドロピラノ[3,2-b]ピラン
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： C22H35F3O7S
Molecular formula furigana： C22-H35-F3-O7-S
Molecular weight： 500.570
InChI： InChI=1S/C22H35F3O7S/c1-15(2)8-7-12-20(4,29-14-28-6)19-11-13-21(5)18(30-19)10-9-17(31-21)16(3)32-33(26,27)22(23,24)25/h8,17-19H,3,7,9-14H2,1-2,4-6H3/t17-,18?,19-,20+,21+/m1/s1
InChI key： ZBNXYERSPTYFPJ-WNTWWTRPSA-N
SMILES： COCO[C@@](C)(CCC=C(C)C)[C@H]1CC[C@]2(C)O[C@H](CCC2O1)C(=C)OS(=O)(=O)C(F)(F)F
Systematic name  (3)：
  • (2R)-2β-[(S)-1,5-ジメチル-1-(メトキシメトキシ)-4-ヘキセニル]-4aβ-メチル-6β-[1-(トリフルオロメチルスルホニルオキシ)エテニル]オクタヒドロピラノ[3,2-b]ピラン
  • 1-[(2R,6R,8aS)-6-[(2S)-2-(メトキシメトキシ)-6-メチルヘプタ-5-エン-2-イル]-8a-メチル-オクタヒドロピラノ[3,2-b]ピラン-2-イル]エテニル トリフルオロメタンスルホナート
  • 1-[(2R,6R,8aS)-6-[(2S)-2-(methoxymethoxy)-6-methylhept-5-en-2-yl]-8a-methyl-octahydropyrano[3,2-b]pyran-2-yl]ethenyl trifluoromethanesulfonate
Other name (1)：
  • (2R)-2β-[(S)-1,5-Dimethyl-1-(methoxymethoxy)-4-hexenyl]-4aβ-methyl-6β-[1-(trifluoromethylsulfonyloxy)ethenyl]octahydropyrano[3,2-b]pyran
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