Chem
J-GLOBAL ID:200907051205516143
Nikkaji number:J2.340.054E
Norbergenin-11-caproate
ノルベルゲニン-11-カプロアート
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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:
C19 H24 O10
Molecular formula furigana:
C19-H24-O10
Molecular weight:
412.391
InChI:
InChI=1S/C19H24O10/c1-2-3-4-5-11(21)27-7-10-14(23)16(25)18-17(28-10)12-8(19(26)29-18)6-9(20)13(22)15(12)24/h6,10,14,16-18,20,22-25H,2-5,7H2,1H3/t10-,14-,16+,17+,18-/m1/s1
InChI key:
IQFARDPNNNYZCC-IAMLKPJMSA-N
SMILES:
CCCCCC(=O)OC[C@H]1O[C@@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c23)[C@@H](O)[C@@H]1O
Systematic name (3):
ヘキサン酸[(2R)-3β,4α,8,9,10-ペンタヒドロキシ-6-オキソ-2,3,4,4aα,6,10bβ-ヘキサヒドロピラノ[3,2-c][2]ベンゾピラン-2α-イル]メチル
[(2S,4R,5S,6S,7R)-5,6,12,13,14-ペンタヒドロキシ-9-オキソ-3,8-ジオキサトリシクロ[8.4.0.02,7 ]テトラデカ-1(14),10,12-トリエン-4-イル]メチル ヘキサノアート
[(2S,4R,5S,6S,7R)-5,6,12,13,14-pentahydroxy-9-oxo-3,8-dioxatricyclo[8.4.0.02,7 ]tetradeca-1(14),10,12-trien-4-yl]methyl hexanoate
Other name (3):
Hexanoic acid [(2R)-3β,4α,8,9,10-pentahydroxy-6-oxo-2,3,4,4aα,6,10bβ-hexahydropyrano[3,2-c][2]benzopyran-2α-yl]methyl ester
ノルベルゲニン-11-カプロアート
Norbergenin-11-caproate
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