Chem
J-GLOBAL ID:200907062585459971
Nikkaji number:J1.798.750J
(1R,2S,4S)-8,8-Dimethoxy-5-(1,3-dioxolane-2-yl)-2-methyl-7-oxobicyclo[2.2.2]octa-5-ene-2-carboxylic acid methyl ester
(1R,2S,4S)-8,8-ジメトキシ-5-(1,3-ジオキソラン-2-イル)-2-メチル-7-オキソビシクロ[2.2.2]オクタ-5-エン-2-カルボン酸メチル
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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:
C16 H22 O7
Molecular formula furigana:
C16-H22-O7
Molecular weight:
326.345
InChI:
InChI=1S/C16H22O7/c1-15(14(18)19-2)8-11-9(13-22-5-6-23-13)7-10(15)12(17)16(11,20-3)21-4/h7,10-11,13H,5-6,8H2,1-4H3/t10-,11-,15-/m0/s1
InChI key:
TYMCLZZRQVEOJW-PGUXBMHVSA-N
SMILES:
COC(=O)[C@@]1(C)C[C@H]2C(=C[C@H]1C(=O)C2(OC)OC)C1OCCO1
Systematic name (3):
(1R,2S,4S)-8,8-ジメトキシ-5-(1,3-ジオキソラン-2-イル)-2-メチル-7-オキソビシクロ[2.2.2]オクタ-5-エン-2-カルボン酸メチル
メチル (1R,2S,4S)-5-(1,3-ジオキソラン-2-イル)-8,8-ジメトキシ-2-メチル-7-オキソビシクロ[2.2.2]オクタ-5-エン-2-カルボキシラート
methyl (1R,2S,4S)-5-(1,3-dioxolan-2-yl)-8,8-dimethoxy-2-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate
Other name (1):
(1R,2S,4S)-8,8-Dimethoxy-5-(1,3-dioxolane-2-yl)-2-methyl-7-oxobicyclo[2.2.2]octa-5-ene-2-carboxylic acid methyl ester
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