基本情報
- CAS
60676-58-6- 標準SMILES
CC(=O)OC(c1nc2ccccc2c(=O)n1C1CC2(OC1=O)c1ccccc1N1C(=O)C(C)NC12)C(C)C- InChIKey
UQWRSTHNSHDTCA-UHFFFAOYSA-N- 分子式
- C28H28N4O6
- 平均分子量
- 516.5 g/mol
- 単同位体質量
- 516.20088462
概要
deoxynortryptoquivaline has been reported in Cladosporium with data available.
名称と識別子
- 優先名称
- Deoxynortryptoquivaline
- IUPAC
- [2-methyl-1-[3-(2-methyl-1,2'-dioxospiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl)-4-oxoquinazolin-2-yl]propyl] acetate
名称と別名
Deoxynortryptoquivaline60676-58-6N-Deoxy-2'-demethyltryptoquivaline AUNII-771386M36R771386M36R[2-methyl-1-[3-(2-methyl-1,2'-dioxospiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl)-4-oxoquinazolin-2-yl]propyl] acetateSPIRO(FURAN-2(5H),9'-(9H)IMIDAZO(1,2-A)INDOLE)-3',5(2'H)-DIONE, 4-(2-(1-(ACETYLOXY)-2-METHYLPROPYL)-4-OXO-3(4H)-QUINAZOLINYL)-1',3,4,9'A-TETRAHYDRO-2'-METHYL-, (2'S-(2'.ALPHA.,9'.BETA.(4S*(R*)),9'A.ALPHA.))-Spiro(furan-2(5H),9'-(9H)imidazo(1,2-a)indole)-3',5(2'H)-dione, 4-(2-(1-(acetyloxy)-2-methylpropyl)-4-oxo-3(4H)-quinazolinyl)-1',3,4,9'a-tetrahydro-2'-methyl-, (2'S-(2'alpha,9'beta(4S*(R*)),9'aalpha))-(2-methyl-1-(3-(2-methyl-1,2'-dioxospiro(3,3a-dihydro-2H-imidazo(1,2-a)indole-4,5'-oxolane)-3'-yl)-4-oxoquinazolin-2-yl)propyl) acetate2-Methyl-1-(3-(2-methyl-3,5'-dioxo-1,2,3,9a-tetrahydrospiro(imidazo(1,2-a)indole-9,2'-oxolane)-4'-yl)-4-oxo-3,4-dihydroquinazolin-2-yl)propyl acetic acid2-Methyl-1-(3-{2-methyl-3,5'-dioxo-1,2,3,9a-tetrahydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-4'-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)propyl acetic acidRefChem:131977
名称をさらに表示
DTXSID70976107Q272665292-Methyl-1-[3-(2-methyl-3,5'-dioxo-1,2,3,9a-tetrahydrospiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]propyl acetate
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 118 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 5
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 1,080
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