6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid

6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid 基本信息
CAS号 54156-67-1 分子式 C34H54O8
分子量 590.78800 精确质量  590.38200
PSA  133.52000 LogP  5.84220

基本信息 展开↓

CAS号:
54156-67-1
3D弹球模型:
立即前往扯扯看
分子式:
C34H54O8
分子量:
590.78800
中文名称:
6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
英文名称:
6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
中文别名:
6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
英文别名:
6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid;
isolapachol;
Isolasalocid A
精确分子量/精确质量:
590.38200
极性分子表面积/PSA:
133.52000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: XZJLJFYPIJKWCY-ANXQGEBNSA-N

物化性质展开↓

密度:
1.122g/cm3
沸点:
731.3ºC at 760 mmHg
闪点:
223.2ºC
折射率:
1.53

合成路线查看所有的合成路线

  • 1056032-86-0

    benzyl 2-(benzyloxy)-6-((3R,4S,5S,7R,8S,9S)-7-ethyl-10-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-4,8-dihydroxy-3,5,9-trimethyl-6-oxodecyl)-3-methylbenzoate

  • ~98%

  • 54156-67-1

    6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid

  • 152934-55-9

    152934-55-9

  • ~91%

  • 54156-67-1

    6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid

  • 131967-60-7

    (5S,E)-3-((2R,5S)-5-((R)-1-((benzyloxy)methoxy)ethyl)-5-ethyltetrahydrofuran-2-yl)-5-((4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)-1-(4-methoxyphenyl)hex-1-en-3-ol

  • 54156-67-1

    6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid

上下游相关产品

上游产品

更多
  • 1056032-86-0

    benzyl 2-(benzyloxy)-6-((3R,4S,5S,7R,8S,9S)-7-ethyl-10-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-4,8-dihydroxy-3,5,9-trimethyl-6-oxodecyl)-3-methylbenzoate

  • 152934-55-9

    N/A

  • 128531-41-9

    (2S,5R)-2-((1R)-1-Benzyloxymethoxyethyl)-2-ethyl-5-formyltetrahydrofuran

  • 131967-62-9

    (2S)-2-[(2S,3S,5R)-5-[(2R,5S)-5-((1R)-1-Benzyloxymethoxyethyl)-5-ethyltetrahydrofur-2-yl]-5-ethenyl-3-methyltetrahydrofur-2-yl]butan-1-ol

  • 131927-96-3

    N/A

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便