Chem
J-GLOBAL ID：201707015304705400
Nikkaji number：J3.593.256I
(pS)-2-Methylpropanoic acid 11-hydroxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-yl ester
(pS)-2-メチルプロパン酸11-ヒドロキシトリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5-イル
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： C20H22O3
Molecular formula furigana： C20-H22-O3
Molecular weight： 310.393
InChI：
InChI=1S/C20H22O3/c1-13(2)20(22)23-19-12-15-4-8-16-7-3-14(11-18(16)21)5-9-17(19)10-6-15/h3,6-7,10-13,21H,4-5,8-9H2,1-2H3
InChI key：
XYTOOUXLKPRGDI-UHFFFAOYSA-N
SMILES：
CC(C)C(=O)Oc1cc2CCc3ccc(CCc1cc2)cc3O
Systematic name (3)：
- (pS)-2-メチルプロパン酸11-ヒドロキシトリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5-イル
- 14-ヒドロキシトリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4(16),5,7(15),10,13-ヘキサエン-5-イル 2-メチルプロパノアート
- 14-hydroxytricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl 2-methylpropanoate
- (pS)-2-Methylpropanoic acid 11-hydroxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-yl ester
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