Helminthosporic acid
基本情報
- CAS
1619-32-5- 標準SMILES
CC1=C(C(=O)O)C2C(C(C)C)CCC1(C)C2CO- InChIKey
RBCVCNVBAWEHLS-UHFFFAOYSA-N- 分子式
- C15H24O3
- 平均分子量
- 252.35 g/mol
- 単同位体質量
- 252.17254462
概要
Helminthosporic acid has been reported in Bipolaris with data available.
名称と識別子
- 優先名称
- Helminthosporic acid
- IUPAC
- 8-(hydroxymethyl)-1,7-dimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-ene-6-carboxylic acid
名称と別名
8-(hydroxymethyl)-1,7-dimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-ene-6-carboxylic acid8-(hydroxymethyl)-1,7-dimethyl-4-propan-2-ylbicyclo(3.2.1)oct-6-ene-6-carboxylic acidRefChem:922789Helminthosporic acidHeminthosporic acid1619-32-5Bicyclo(3.2.1)oct-6-ene-6-carboxylic acid, 8-(hydroxymethyl)-1,7-dimethyl-4-(1-methylethyl)-4-isopropyl-1,7-diethyl-Bicyclo(3.2.1)oct-6-ene-6-carboxylic acid, 8-(hydroxymethyl)-1,7-dimethyl-4-(1-methylethyl)-, (1R,4R,5S,8S)-Bicyclo[3.2.1]oct-6-ene-6-carboxylic acid, 8-(hydroxymethyl)-1,7-dimethyl-4-(1-methylethyl)-, (1R,4R,5S,8S)-SCHEMBL29580614DTXSID009366138-(Hydroxymethyl)-1,7-dimethyl-4-(propan-2-yl)bicyclo[3.2.1]oct-6-ene-6-carboxylic acid
データベース識別子
- CAS
1619-32-5- PubChem CID
- 3083727
- DTXSID
DTXSID00936613- Nikkaji
- J3.783.575G
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 57.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 397
関連反応
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