Chem
J-GLOBAL ID：200907082763031639   Nikkaji number：J1.187.686B

Attenol B

アッテノールB
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： C22H38O5
Molecular formula furigana： C22-H38-O5
Molecular weight： 382.541
InChI： InChI=1S/C22H38O5/c1-3-4-6-9-18(24)16-19(25)12-14-22-13-11-17(2)21(27-22)20(26-22)10-7-5-8-15-23/h3,5,7,17-21,23-25H,1,4,6,8-16H2,2H3/b7-5-/t17-,18+,19+,20-,21-,22-/m1/s1
InChI key： YOCZDEFHAIBEAQ-YUFFJPHQSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@H](O)C[C@@H](O)CCCC=C)O[C@H](C/C=C\CCO)[C@@H]1O2
Systematic name  (3)：
  • (1α)-2α-メチル-5β-[(3S,5S)-3,5-ジヒドロキシ-9-デセニル]-7α-[(Z)-5-ヒドロキシ-2-ペンテニル]-6,8-ジオキサビシクロ[3.2.1]オクタン
  • (3S,5S)-1-[(1R,2R,5R,7R)-7-[(2Z)-5-ヒドロキシペンタ-2-エン-1-イル]-2-メチル-6,8-ジオキサビシクロ[3.2.1]オクタン-5-イル]デカ-9-エン-3,5-ジオール
  • (3S,5S)-1-[(1R,2R,5R,7R)-7-[(2Z)-5-hydroxypent-2-en-1-yl]-2-methyl-6,8-dioxabicyclo[3.2.1]octan-5-yl]dec-9-ene-3,5-diol
Other name (6)：
  • (1α)-2α-Methyl-5β-[(3S,5S)-3,5-dihydroxy-9-decenyl]-7α-[(Z)-5-hydroxy-2-pentenyl]-6,8-dioxabicyclo[3.2.1]octane
  • アッテノールB
  • Attenol B
  • アテノールB
  • (+)-アッテノールB
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