Chem
J-GLOBAL ID:201707009141993690
Nikkaji number:J3.649.729G
Methyl carlactonoate
カーラクトン酸メチル
Download MOL file
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:
C20 H26 O5
Molecular formula furigana:
C20-H26-O5
Molecular weight:
346.423
InChI:
InChI=1S/C20H26O5/c1-13-7-6-10-20(3,4)16(13)9-8-15(19(22)23-5)12-24-17-11-14(2)18(21)25-17/h8-9,11-12,17H,6-7,10H2,1-5H3/b9-8+,15-12+
InChI key:
CKPATFHQOSFGEL-BRBUPDJYSA-N
SMILES:
COC(=O)/C(=C/OC1OC(=O)C(=C1)C)/C=C/C1=C(C)CCCC1(C)C
Systematic name (3):
(1E,3E)-1-[(3-メチル-2-オキソ-2,5-ジヒドロフラン-5-イル)オキシ]-4-(2,6,6-トリメチル-1-シクロヘキセン-1-イル)-1,3-ブタジエン-2-カルボン酸メチル
メチル (2E,3E)-2-{[(4-メチル-5-オキソ-2,5-ジヒドロフラン-2-イル)オキシ]メチリデン}-4-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ブタ-3-エノアート
methyl (2E,3E)-2-{[(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)oxy]methylidene}-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enoate
Other name (4):
(1E,3E)-1-[(3-Methyl-2-oxo-2,5-dihydrofuran-5-yl)oxy]-4-(2,6,6-trimethyl-1-cyclohexene-1-yl)-1,3-butadiene-2-carboxylic acid methyl ester
カルラクトン酸メチル
カーラクトン酸メチル
Methyl carlactonoate
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