Chem
J-GLOBAL ID：200907037052203768   Nikkaji number：J523.713K

[3-[[[(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]propyl]dimethylsulfonium

[3-[[[(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]プロピル]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： C26H31O8[S+]
Molecular formula furigana： C26-H31-O8-S
Molecular weight： 503.590
InChI： InChI=1S/C26H30O8S/c1-29-20-8-14(9-21(30-2)24(20)27)22-15-10-18-19(34-13-33-18)11-16(15)25(31-6-5-7-35(3)4)17-12-32-26(28)23(17)22/h8-11,17,22-23,25H,5-7,12-13H2,1-4H3/p+1/t17-,22+,23-,25+/m0/s1
InChI key： UZBSWIFFGJNUFC-YMACDFMISA-O
SMILES： COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](OCCC[S+](C)C)c2cc3OCOc3cc12
Systematic name  (3)：
  • [3-[[[(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]プロピル]ジメチルスルホニウム
  • (3-{[(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}プロピル)ジメチルスルファニウム
  • (3-{[(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}propyl)dimethylsulfanium
Other name (1)：
  • [3-[[[(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]propyl]dimethylsulfonium
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