Chem
J-GLOBAL ID：200907024154617457   Nikkaji number：J523.712B

[2-[[[(5R)-5β-(4-Hydroxy-3,5-dimethoxyphenyl)-5,5aα,6,8,8aβ,9-hexahydro-6-oxofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol]-9α-yl]oxy]ethyl]dimethylsulfonium

[2-[[[(5R)-5β-(4-ヒドロキシ-3,5-ジメトキシフェニル)-5,5aα,6,8,8aβ,9-ヘキサヒドロ-6-オキソフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール]-9α-イル]オキシ]エチル]ジメチルスルホニウム
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： C25H29O8[S+]
Molecular formula furigana： C25-H29-O8-S
Molecular weight： 489.560
InChI： InChI=1S/C25H28O8S/c1-28-19-7-13(8-20(29-2)23(19)26)21-14-9-17-18(33-12-32-17)10-15(14)24(30-5-6-34(3)4)16-11-31-25(27)22(16)21/h7-10,16,21-22,24H,5-6,11-12H2,1-4H3/p+1/t16-,21+,22-,24+/m0/s1
InChI key： NKQFZBBTJFFPIM-JNTAVDMJSA-O
SMILES： COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](OCC[S+](C)C)c2cc3OCOc3cc12
Systematic name  (3)：
  • [2-[[[(5R)-5β-(4-ヒドロキシ-3,5-ジメトキシフェニル)-5,5aα,6,8,8aβ,9-ヘキサヒドロ-6-オキソフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール]-9α-イル]オキシ]エチル]ジメチルスルホニウム
  • (2-{[(10S,11R,15R,16R)-16-(4-ヒドロキシ-3,5-ジメトキシフェニル)-14-オキソ-4,6,13-トリオキサテトラシクロ[7.7.0.03,7.011,15]ヘキサデカ-1,3(7),8-トリエン-10-イル]オキシ}エチル)ジメチルスルファニウム
  • (2-{[(10S,11R,15R,16R)-16-(4-hydroxy-3,5-dimethoxyphenyl)-14-oxo-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-10-yl]oxy}ethyl)dimethylsulfanium
Other name (1)：
  • [2-[[[(5R)-5β-(4-Hydroxy-3,5-dimethoxyphenyl)-5,5aα,6,8,8aβ,9-hexahydro-6-oxofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol]-9α-yl]oxy]ethyl]dimethylsulfonium
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