Chem
J-GLOBAL ID:200907080170614279
Nikkaji number:J1.697.779I
(2R,3R,4R)-2,3-(Isopropylidenedioxy)-4-methyl-7-(4-methoxybenzyloxy)-1-heptanol
(2R,3R,4R)-2,3-(イソプロピリデンジオキシ)-4-メチル-7-(4-メトキシベンジルオキシ)-1-ヘプタノール
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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:
C19 H30 O5
Molecular formula furigana:
C19-H30-O5
Molecular weight:
338.444
InChI:
InChI=1S/C19H30O5/c1-14(18-17(12-20)23-19(2,3)24-18)6-5-11-22-13-15-7-9-16(21-4)10-8-15/h7-10,14,17-18,20H,5-6,11-13H2,1-4H3/t14-,17-,18-/m1/s1
InChI key:
VWUKVDWNXSDMOH-ZTFGCOKTSA-N
SMILES:
COc1ccc(COCCC[C@@H](C)[C@H]2OC(C)(C)O[C@@H]2CO)cc1
Systematic name (3):
(2R,3R,4R)-2,3-(イソプロピリデンジオキシ)-4-メチル-7-(4-メトキシベンジルオキシ)-1-ヘプタノール
[(4R,5R)-5-[(2R)-5-[(4-メトキシフェニル)メトキシ]ペンタン-2-イル]-2,2-ジメチル-1,3-ジオキソラン-4-イル]メタノール
[(4R,5R)-5-[(2R)-5-[(4-methoxyphenyl)methoxy]pentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
Other name (1):
(2R,3R,4R)-2,3-(Isopropylidenedioxy)-4-methyl-7-(4-methoxybenzyloxy)-1-heptanol
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