Chem
J-GLOBAL ID：200907045095846894
Nikkaji number：J1.945.363D
(5β,8R,9β,10α,13S)-2,3-Secobeyera-15-ene-2,3-dioic acid dimethyl ester
(5β,8R,9β,10α,13S)-2,3-セコベイエラ-15-エン-2,3-二酸ジメチル
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： C22H34O4
Molecular formula furigana： C22-H34-O4
Molecular weight： 362.510
InChI：
InChI=1S/C22H34O4/c1-19(2,18(24)26-6)15-8-10-22-12-11-20(3,14-22)9-7-16(22)21(15,4)13-17(23)25-5/h11-12,15-16H,7-10,13-14H2,1-6H3/t15-,16+,20-,21-,22+/m1/s1
InChI key：
ICGRRYSGMDUUIH-LLAJYAIDSA-N
SMILES：
COC(=O)C[C@]1(C)[C@H](CC[C@]23C[C@](C)(CC[C@@H]12)C=C3)C(C)(C)C(=O)OC
Systematic name (3)：
- (5β,8R,9β,10α,13S)-2,3-セコベイエラ-15-エン-2,3-二酸ジメチル
- メチル 2-[(1R,4S,5S,6S,9S)-5-(2-メトキシ-2-オキソエチル)-5,9-ジメチルトリシクロ[7.2.1.01,6]ドデカ-10-エン-4-イル]-2-メチルプロパノアート
- methyl 2-[(1R,4S,5S,6S,9S)-5-(2-methoxy-2-oxoethyl)-5,9-dimethyltricyclo[7.2.1.01,6]dodec-10-en-4-yl]-2-methylpropanoate
- (5β,8R,9β,10α,13S)-2,3-Secobeyera-15-ene-2,3-dioic acid dimethyl ester
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