Chem
J-GLOBAL ID:200907089348561171
Nikkaji number:J1.648.118A
2-Methylbutyric acid (S)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-9β-yl ester
(9S)-8,8-ジメチル-2-オキソ-2H,8H,9H,10H-ピラノ[2,3-h]クロメン-9-イル 2-メチルブタノアート
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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:
C19 H22 O5
Molecular formula furigana:
C19-H22-O5
Molecular weight:
330.380
InChI:
InChI=1S/C19H22O5/c1-5-11(2)18(21)22-15-10-13-14(24-19(15,3)4)8-6-12-7-9-16(20)23-17(12)13/h6-9,11,15H,5,10H2,1-4H3/t11?,15-/m0/s1
InChI key:
SNISDAOCVKRKNG-MHTVFEQDSA-N
SMILES:
CCC(C)C(=O)O[C@H]1Cc2c(OC1(C)C)ccc1ccc(=O)oc21
Systematic name (3):
2-メチル酪酸(S)-9,10-ジヒドロ-8,8-ジメチル-2-オキソ-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-9β-イル
(9S)-8,8-ジメチル-2-オキソ-2H,8H,9H,10H-ピラノ[2,3-h]クロメン-9-イル 2-メチルブタノアート
(9S)-8,8-dimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl 2-methylbutanoate
Other name (1):
2-Methylbutyric acid (S)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-9β-yl ester
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