Chem
J-GLOBAL ID:200907020546674720
Nikkaji number:J475.316J
Cnidicin
クニジシン
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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:
C21 H22 O5
Molecular formula furigana:
C21-H22-O5
Molecular weight:
354.402
InChI:
InChI=1S/C21H22O5/c1-13(2)7-10-23-18-15-5-6-17(22)26-20(15)21(25-11-8-14(3)4)19-16(18)9-12-24-19/h5-9,12H,10-11H2,1-4H3
InChI key:
HJMDOAWWVCOEDW-UHFFFAOYSA-N
SMILES:
CC(=CCOc1c2ccoc2c(OCC=C(C)C)c2oc(=O)ccc12)C
Systematic name (4):
4,9-ビス[(3-メチル-2-ブテニル)オキシ]-7H-フロ[3,2-g][1]ベンゾピラン-7-オン
4,9-ビス(3-メチル-2-ブテニルオキシ)-7H-フロ[3,2-g][1]ベンゾピラン-7-オン
4,9-ビス[(3-メチルブタ-2-エン-1-イル)オキシ]-7H-フロ[3,2-g]クロメン-7-オン
4,9-bis[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
Other name (5):
5,8-(ジ-3′-メチルブタ-2′-エニルオキシ)プソラレン
クニジシン
5,8-(Di-3′-methylbut-2′-enyloxy)psoralen
Cnidicin
4,9-Bis(3-methyl-2-butenyloxy)-7H-furo[3,2-g][1]benzopyran-7-one
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