Chem
J-GLOBAL ID:200907083339833462
Nikkaji number:J435.271H
Monocerin
モノセリン
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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 O6
Molecular formula furigana:
C16-H20-O6
Molecular weight:
308.330
InChI:
InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1
InChI key:
VAYQNUBOZLPGDH-OLXJLDBKSA-N
SMILES:
CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1
Systematic name (4):
(2S)-2,3,3aα,9bα-テトラヒドロ-6-ヒドロキシ-7,8-ジメトキシ-2β-プロピル-5H-フロ[3,2-c][2]ベンゾピラン-5-オン
(2S,3aR,9bR)-7,8-ジメトキシ-6-ヒドロキシ-2-プロピル-3,3a-ジヒドロ-2H-フロ[3,2-c][2]ベンゾピラン-5(9bH)-オン
(2R,4S,6R)-10-ヒドロキシ-11,12-ジメトキシ-4-プロピル-3,7-ジオキサトリシクロ[7.4.0.02,6 ]トリデカ-1(13),9,11-トリエン-8-オン
(2R,4S,6R)-10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.02,6 ]trideca-1(13),9,11-trien-8-one
Other name (6):
モノセリン
Monocerin
(2S)-2,3,3aα,9bα-Tetrahydro-6-hydroxy-7,8-dimethoxy-2β-propyl-5H-furo[3,2-c][2]benzopyran-5-one
(+)-モノセリン
(+)-Monocerin
(2S,3aR,9bR)-7,8-Dimethoxy-6-hydroxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c][2]benzopyran-5(9bH)-one
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CAS registry number:
30270-60-1
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