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(+)-异落叶松树脂醇 | 548-29-8

(+)-异落叶松树脂醇结构式图片|548-29-8结构式图片
(+)-异落叶松树脂醇
2,3-Naphthalenedimethanol,1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-,(1S,2R,3R)-
548-29-8
C20H24O6
360.40096
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:(+)-异落叶松树脂醇结构式
160521
名称和标识符
InChIKey OGFXBIXJCWAUCH-KPHUOKFYSA-N
Inchi InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1
SMILES COC1=C(C=CC(=C1)[C@H]2C3=CC(=C(C=C3C[C@@H](CO)[C@@H]2CO)OC)O)O
别名信息
- 中文别名 -
  • 异落叶松脂素
  • (+)-异落叶松树脂醇
- 英文别名 -
  • 2,3-Naphthalenedimethanol,1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-,(1S,2R,3R)-
  • (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
  • 2,3-Naphthalenedimethanol,1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy...
  • ISOLARICIRESINOL
  • Arbo 3
  • meso-secoisolariciresinol
  • [ "" ]
  • 548-29-8
  • ((1S,2R,3R)-7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diyl)dimethanol
  • UNII-FRJ46XRJ28
  • (+)-(6R,7S,8S)-ISOLARICIRESINOL
  • ISOLARICIRESINOL, (+)-
  • Cyclolariciresinol
  • .ALPHA.-CONIDENDRYL ALCOHOL
  • CHEBI:69542
  • DTXSID20203273
  • HY-14579
  • BDBM50223783
  • Isolariciresinol (6CI)
  • (+)-Cyclolariciresinol
  • (+)-Isolariciresinol
  • Isolariciresinol, (+)-
  • -Conidendryl alcohol
  • SCHEMBL12427087
  • (+)-CYCLOLARICIRESINOL
  • FRJ46XRJ28
  • Isolariciresinol
  • alpha-CONIDENDRYL ALCOHOL
  • DTXCID20125764
  • (+)-Isolariciresinol, >=95.0% (HPLC)
  • 2,3-Naphthalenedimethanol, 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, (1S-(1alpha,2beta,3alpha))-
  • Q27137882
  • MS-25697
  • 2,3-NAPHTHALENEDIMETHANOL, 1,2,3,4-TETRAHYDRO-7-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)-6-METHOXY-, (1S,2R,3R)-
  • (6R,7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydro-2-naphthalenol
  • CHEMBL399512
  • 1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-naphthalenedimethanol
  • (+)-Isolariciresinol
  • CS-0003457
  • 2,3-Naphthalenedimethanol,1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, (1S,2R,3R)-
  • AKOS032948463
  • (2R,3R,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-6-ol
  • burselignan
  • (-)-ent-Isolariciresinol
  • 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-naphthalenedimethanol
  • isolariciresinol
物化性质
实验特性
LogP 2.02000
PSA 99.38000
沸点 584.1±50.0 °C at 760 mmHg
蒸气压 0.0±1.7 mmHg at 25°C
闪点 307.1±30.1 °C
颜色与性状 Powder
密度 1.3±0.1 g/cm3
计算特性
精确分子量 360.15700
氢键供体数量 4
氢键受体数量 6
可旋转化学键数量 5
同位素质量 360.157
重原子数量 26
复杂度 446
同位素原子数量 0
确定原子立构中心数量 3
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2
拓扑分子极性表面积 99.4A^2
相关文献
专业数据库参考
PubChemId 160521
参考资料
Reaxys RN
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