Chem
J-GLOBAL ID：200907084150068834
Nikkaji number：J1.361.209I
6',7'-Epoxybergamottin
6′,7′-エポキシベルガモッチン
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
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
Molecular formula： C21H22O5
Molecular formula furigana： C21-H22-O5
Molecular weight： 354.402
InChI：
InChI=1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8+/t18-/m1/s1
InChI key：
OOKSPQLCQUBEKU-INMULRNOSA-N
SMILES：
C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)/CC[C@H]1OC1(C)C
Systematic name (4)：
- 4-[[(E)-3-メチル-4-[(R)-3,3-ジメチルグリシジル]-2-ブテニル]オキシ]-7H-フロ[3,2-g][1]ベンゾピラン-7-オン
- 4-[[(2E)-3-メチル-5-[(2R)-3,3-ジメチルオキシラニル]-2-ペンテニル]オキシ]-7H-フロ[3,2-g][1]ベンゾピラン-7-オン
- 4-{[(2E)-5-[(2R)-3,3-ジメチルオキシラン-2-イル]-3-メチルペンタ-2-エン-1-イル]オキシ}-7H-フロ[3,2-g]クロメン-7-オン
- 4-{[(2E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-en-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one
- 4-[[(E)-3-Methyl-4-[(R)-3,3-dimethylglycidyl]-2-butenyl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
- 4-[[(2E)-3-Methyl-5-[(2R)-3,3-dimethyloxiranyl]-2-pentenyl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
- 6′,7′-エポキシベルガモッチン
- 6′,7′-Epoxybergamottin
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