Chem
J-GLOBAL ID：200907074558411167
Nikkaji number：J351.142A
(1S,1′R)-2′-Oxo-5′β-methyl-5β-[(2Z)-6-methyl-2,5-heptadien-2-yl]-[1,1′-bicyclopentane]-2,3′-diene-2-carboxylic acid methyl ester
5β-(5α-メチル-3-オキソ-1-シクロペンテン-4β-イル)-4β-[(1Z)-1,5-ジメチル-1,4-ヘキサジエニル]-1-シクロペンテン-1-カルボン酸メチル
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
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
Molecular formula： C21H28O3
Molecular formula furigana： C21-H28-O3
Molecular weight： 328.452
InChI：
InChI=1S/C21H28O3/c1-13(2)7-6-8-14(3)16-10-11-17(21(23)24-5)20(16)19-15(4)9-12-18(19)22/h7-9,11-12,15-16,19-20H,6,10H2,1-5H3/b14-8-/t15-,16+,19+,20-/m1/s1
InChI key：
RQRBUFOWUWHSOT-OMCAQQSRSA-N
SMILES：
COC(=O)C1=CC[C@H]([C@H]1[C@H]1[C@H](C)C=CC1=O)/C(=C\CC=C(C)C)/C
Systematic name (5)：
- 5β-(5α-メチル-3-オキソ-1-シクロペンテン-4β-イル)-4β-[(1Z)-1,5-ジメチル-1,4-ヘキサジエニル]-1-シクロペンテン-1-カルボン酸メチル
- (1S,1′R)-2′-オキソ-5′β-メチル-5β-[(2Z)-6-メチル-2,5-ヘプタジエン-2-イル]-[1,1′-ビシクロペンタン]-2,3′-ジエン-2-カルボン酸メチル
- (4R)-4β-[(1Z)-1,5-ジメチル-1,4-ヘキサジエニル]-5β-[(1R)-2α-メチル-5-オキソ-3-シクロペンテン-1β-イル]-1-シクロペンテン-1-カルボン酸メチル
- メチル (1S,1'R,2'R,5R)-2'-メチル-5-[(2Z)-6-メチルヘプタ-2,5-ジエン-2-イル]-5'-オキソ-[1,1'-ビ(シクロペンタン)]-2,3'-ジエン-2-カルボキシラート
- methyl (1S,1'R,2'R,5R)-2'-methyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]-5'-oxo-[1,1'-bi(cyclopentane)]-2,3'-diene-2-carboxylate
- (1S,1′R)-2′-Oxo-5′β-methyl-5β-[(2Z)-6-methyl-2,5-heptadien-2-yl]-[1,1′-bicyclopentane]-2,3′-diene-2-carboxylic acid methyl ester
- (4R)-4β-[(1Z)-1,5-Dimethyl-1,4-hexadienyl]-5β-[(1R)-2α-methyl-5-oxo-3-cyclopentene-1β-yl]-1-cyclopentene-1-carboxylic acid methyl ester
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