Methyl 4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylate
基本情報
- CAS
3209-31-2- 標準SMILES
COC(=O)C1=CC(=O)C=C(OC)C12Oc1cc(C)cc(O)c1C2=O- InChIKey
JCMPRFCVZKOFIT-UHFFFAOYSA-N- 分子式
- C17H14O7
- 平均分子量
- 330.29 g/mol
- 単同位体質量
- 330.07395278
概要
Bisdechlorogeodin is a methyl ester, a cyclohexadiene, an oxaspiro compound and a member of 1-benzofurans. It has a role as an antimicrobial agent.
名称と識別子
- 優先名称
- Methyl 4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylate
- IUPAC
- methyl 4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
名称と別名
Bisdechlorogeodin3209-31-2Bis-dechlorogeodinAntibiotic C3368-ACHEBI:22899methyl 4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylateSpiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylic acid, 4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-, methyl estermethyl 4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro(1-benzofuran-2,6'-cyclohexa-1,4-diene)-1'-carboxylateRefChem:925685Methyl 4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylateC3368-ACHEMBL512514
名称をさらに表示
SCHEMBL29815153DTXSID00953966AKOS030213174Q271095744-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylic acid methyl esterMethyl 4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-3H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylateMethyl 4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylatemethyl 4-hydroxy-6-methyl-4'-oxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 99.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 3
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 662
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