Chem
J-GLOBAL ID:200907001846621187
Nikkaji number:J91.456H
Sophorol
ソホロール
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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 H12 O6
Molecular formula furigana:
C16-H12-O6
Molecular weight:
300.266
InChI:
InChI=1S/C16H12O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-5,11,17-18H,6-7H2
InChI key:
FAPWSAQOVOBPCP-UHFFFAOYSA-N
SMILES:
Oc1ccc2C(=O)C(COc2c1)c1cc2OCOc2cc1O
Systematic name (3):
(+)-2,3-ジヒドロ-7-ヒドロキシ-3-(6-ヒドロキシ-1,3-ベンゾジオキソール-5-イル)-4H-1-ベンゾピラン-4-オン
7-ヒドロキシ-3-(6-ヒドロキシ-2H-1,3-ベンゾジオキソール-5-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
7-hydroxy-3-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3):
Sophorol
ソホロール
(+)-2,3-Dihydro-7-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one
CAS registry number:
524-08-3
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