Chem
J-GLOBAL ID:201007097548094296   Nikkaji number:J2.857.519J

(1S,5S)-1-(Hydroxymethyl)-5-[3-(4-ethoxybenzyl)-4-chlorophenyl]-6,8-dioxabicyclo[3.2.1]octane-2β,3α,4β-triol

(1S,5S)-1-(ヒドロキシメチル)-5-[3-(4-エトキシベンジル)-4-クロロフェニル]-6,8-ジオキサビシクロ[3.2.1]オクタン-2β,3α,4β-トリオール
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: C22H25ClO7
Molecular formula furigana: C22-H25-CL-O7
Molecular weight: 436.890
InChI: InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
InChI key: MCIACXAZCBVDEE-CUUWFGFTSA-N
SMILES: CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Systematic name  (3):
  • (1S,5S)-1-(ヒドロキシメチル)-5-[3-(4-エトキシベンジル)-4-クロロフェニル]-6,8-ジオキサビシクロ[3.2.1]オクタン-2β,3α,4β-トリオール
  • (1S,2S,3S,4R,5S)-5-{4-クロロ-3-[(4-エトキシフェニル)メチル]フェニル}-1-(ヒドロキシメチル)-6,8-ジオキサビシクロ[3.2.1]オクタン-2,3,4-トリオール
  • (1S,2S,3S,4R,5S)-5-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Other name (1):
  • (1S,5S)-1-(Hydroxymethyl)-5-[3-(4-ethoxybenzyl)-4-chlorophenyl]-6,8-dioxabicyclo[3.2.1]octane-2β,3α,4β-triol
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