Chem
J-GLOBAL ID:200907000610444970
Nikkaji number:J1.906.659B
(3S)-3α-Isopropenyl-4α-ethynyl-6-methoxy-3,4-dihydro-2H-1-benzopyran
(3S)-3α-イソプロペニル-4α-エチニル-6-メトキシ-3,4-ジヒドロ-2H-1-ベンゾピラン
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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:
C15 H16 O2
Molecular formula furigana:
C15-H16-O2
Molecular weight:
228.291
InChI:
InChI=1S/C15H16O2/c1-5-12-13-8-11(16-4)6-7-15(13)17-9-14(12)10(2)3/h1,6-8,12,14H,2,9H2,3-4H3/t12-,14-/m1/s1
InChI key:
MLOIHZVUCQXQEW-TZMCWYRMSA-N
SMILES:
COc1ccc2OC[C@@H]([C@H](C#C)c2c1)C(=C)C
Systematic name (3):
(3S)-3α-イソプロペニル-4α-エチニル-6-メトキシ-3,4-ジヒドロ-2H-1-ベンゾピラン
(3S,4R)-4-エチニル-6-メトキシ-3-(プロパ-1-エン-2-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン
(3S,4R)-4-ethynyl-6-methoxy-3-(prop-1-en-2-yl)-3,4-dihydro-2H-1-benzopyran
Other name (1):
(3S)-3α-Isopropenyl-4α-ethynyl-6-methoxy-3,4-dihydro-2H-1-benzopyran
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