Chem
J-GLOBAL ID：200907080579521418   Nikkaji number：J2.196.294E

(2S,3S,4S)-2-[(2R)-2-(4-Methoxyphenyl)-5β-methyl-1,3-dioxane-4α-yl]-4-methyl-6-[(2S)-4α-methoxy-6α-methyltetrahydro-2H-pyran-2β-yl]-3-hexanol

(2S,3S,4S)-6-[(2S,4R,6S)-4-メトキシ-6-メチルオキサン-2-イル]-2-[(2R,4S,5S)-2-(4-メトキシフェニル)-5-メチル-1,3-ジオキサン-4-イル]-4-メチルヘキサン-3-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： C26H42O6
Molecular formula furigana： C26-H42-O6
Molecular weight： 450.616
InChI： InChI=1S/C26H42O6/c1-16(7-10-22-14-23(29-6)13-18(3)31-22)24(27)19(4)25-17(2)15-30-26(32-25)20-8-11-21(28-5)12-9-20/h8-9,11-12,16-19,22-27H,7,10,13-15H2,1-6H3/t16-,17-,18-,19-,22-,23+,24-,25-,26+/m0/s1
InChI key： ZQNQUVWYOYKXQB-IFASEPHUSA-N
SMILES： CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2O[C@@H](OC[C@@H]2C)c2ccc(OC)cc2)C1
Systematic name  (3)：
  • (2S,3S,4S)-2-[(2R)-2-(4-メトキシフェニル)-5β-メチル-1,3-ジオキサン-4α-イル]-4-メチル-6-[(2S)-4α-メトキシ-6α-メチルテトラヒドロ-2H-ピラン-2β-イル]-3-ヘキサノール
  • (2S,3S,4S)-6-[(2S,4R,6S)-4-メトキシ-6-メチルオキサン-2-イル]-2-[(2R,4S,5S)-2-(4-メトキシフェニル)-5-メチル-1,3-ジオキサン-4-イル]-4-メチルヘキサン-3-オール
  • (2S,3S,4S)-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-2-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhexan-3-ol
Other name (1)：
  • (2S,3S,4S)-2-[(2R)-2-(4-Methoxyphenyl)-5β-methyl-1,3-dioxane-4α-yl]-4-methyl-6-[(2S)-4α-methoxy-6α-methyltetrahydro-2H-pyran-2β-yl]-3-hexanol
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