Chem
J-GLOBAL ID：201107064237685594
Nikkaji number：J2.965.712B
p-Toluenesulfonic acid 2-methoxy-4-[(2S)-3α,4α-dimethyl-5β-(1,3-benzodioxole-5-yl)tetrahydrofuran-2α-yl]phenyl ester
p-トルエンスルホン酸2-メトキシ-4-[(2S)-3α,4α-ジメチル-5β-(1,3-ベンゾジオキソール-5-イル)テトラヒドロフラン-2α-イル]フェニル
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
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
Molecular formula： C27H28O7S
Molecular formula furigana： C27-H28-O7-S
Molecular weight： 496.570
InChI：
InChI=1S/C27H28O7S/c1-16-5-9-21(10-6-16)35(28,29)34-23-12-8-19(13-24(23)30-4)26-17(2)18(3)27(33-26)20-7-11-22-25(14-20)32-15-31-22/h5-14,17-18,26-27H,15H2,1-4H3/t17-,18+,26+,27+/m1/s1
InChI key：
GDIYJGOXAPPIJH-DLSXWELSSA-N
SMILES：
COc1cc(ccc1OS(=O)(=O)c1ccc(C)cc1)[C@H]1O[C@@H]([C@@H](C)[C@H]1C)c1ccc2OCOc2c1
Systematic name (3)：
- p-トルエンスルホン酸2-メトキシ-4-[(2S)-3α,4α-ジメチル-5β-(1,3-ベンゾジオキソール-5-イル)テトラヒドロフラン-2α-イル]フェニル
- 4-[(2S,3R,4S,5S)-5-(2H-1,3-ベンゾジオキソール-5-イル)-3,4-ジメチルオキソラン-2-イル]-2-メトキシフェニル 4-メチルベンゼン-1-スルホナート
- 4-[(2S,3R,4S,5S)-5-(2H-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenyl 4-methylbenzene-1-sulfonate
- p-Toluenesulfonic acid 2-methoxy-4-[(2S)-3α,4α-dimethyl-5β-(1,3-benzodioxole-5-yl)tetrahydrofuran-2α-yl]phenyl ester
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