Chem
J-GLOBAL ID:200907050613762156
Nikkaji number:J16.924B
Byakangelicol
ビアカンゲリコール
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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:
C17 H16 O6
Molecular formula furigana:
C17-H16-O6
Molecular weight:
316.309
InChI:
InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1
InChI key:
ORBITTMJKIGFNH-LLVKDONJSA-N
SMILES:
COc1c2ccoc2c(OC[C@H]2OC2(C)C)c2oc(=O)ccc12
Systematic name (3):
9-[[(R)-3,3-ジメチルオキシラニル]メトキシ]-4-メトキシ-7H-フロ[3,2-g][1]ベンゾピラン-7-オン
9-{[(2R)-3,3-ジメチルオキシラン-2-イル]メトキシ}-4-メトキシ-7H-フロ[3,2-g]クロメン-7-オン
9-{[(2R)-3,3-dimethyloxiran-2-yl]methoxy}-4-methoxy-7H-furo[3,2-g]chromen-7-one
Other name (3):
ビアカンゲリコール
Byakangelicol
9-[[(R)-3,3-Dimethyloxiranyl]methoxy]-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
CAS registry number:
26091-79-2
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