Chem
J-GLOBAL ID:200907029921660942
Nikkaji number:J451.758J
Coriandrone A
コリアンドロンA
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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:
C16 H20 O5
Molecular formula furigana:
C16-H20-O5
Molecular weight:
292.331
InChI:
InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(16(2,3)18)21-14(10)13(9)15(17)20-8/h6,8,12,18H,5,7H2,1-4H3/t8-,12-/m0/s1
InChI key:
QBALHQFWXZYTDM-UFBFGSQYSA-N
SMILES:
COc1cc2C[C@H](C)OC(=O)c2c2O[C@@H](Cc12)C(C)(C)O
Systematic name (3):
(2S)-2,3,6,7-テトラヒドロ-2α-(1-ヒドロキシ-1-メチルエチル)-4-メトキシ-7α-メチル-9H-フロ[3,2-h][2]ベンゾピラン-9-オン
(4S,11S)-4-(2-ヒドロキシプロパン-2-イル)-7-メトキシ-11-メチル-3,12-ジオキサトリシクロ[7.4.0.02,6 ]トリデカ-1(9),2(6),7-トリエン-13-オン
(4S,11S)-4-(2-hydroxypropan-2-yl)-7-methoxy-11-methyl-3,12-dioxatricyclo[7.4.0.02,6 ]trideca-1(9),2(6),7-trien-13-one
Other name (4):
コリアンドロンA
Coriandrone A
(2S)-2,3,6,7-Tetrahydro-2α-(1-hydroxy-1-methylethyl)-4-methoxy-7α-methyl-9H-furo[3,2-h][2]benzopyran-9-one
(+)-コリアンドロンA
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