Chem
J-GLOBAL ID:200907037609880237
Nikkaji number:J514.560K
Thunberginol E
ツンベルギノールE
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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 H14 O6
Molecular formula furigana:
C16-H14-O6
Molecular weight:
302.282
InChI:
InChI=1S/C16H14O6/c1-21-13-3-2-8(5-11(13)18)14-6-9-4-10(17)7-12(19)15(9)16(20)22-14/h2-5,7,14,17-19H,6H2,1H3/t14-/m1/s1
InChI key:
MZKMQBPFGDJUFV-CQSZACIVSA-N
SMILES:
COc1ccc(cc1O)[C@H]1Cc2cc(O)cc(O)c2C(=O)O1
Systematic name (3):
(3R)-3,4-ジヒドロ-3-(3-ヒドロキシ-4-メトキシフェニル)-6,8-ジヒドロキシ-1H-2-ベンゾピラン-1-オン
(3R)-6,8-ジヒドロキシ-3-(3-ヒドロキシ-4-メトキシフェニル)-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
(3R)-6,8-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one
Other name (3):
ツンベルギノールE
Thunberginol E
(3R)-3,4-Dihydro-3-(3-hydroxy-4-methoxyphenyl)-6,8-dihydroxy-1H-2-benzopyran-1-one
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