145265-02-7 ((+)-secoisolaricresinol,(+)-Secoisolariciresinol)

CAS号:
145265-02-7
中文名称:
(+)-secoisolaricresinol
英文名称:
(+)-Secoisolariciresinol
分子式:
C20H26O6
分子量:
362.416846752167
简介:
(+)-Secoisolariciresinol,一种木脂素化合物,是 Secoisolariciresinol 的 (+)-对映体。

(+)-secoisolaricresinol(145265-02-7)名称与标识符

名称

英文别名:
(-)-Secoisolariciresinol;(+)-secoisolariciresinol;(+/-)-secoisolariciresinol;8-Epime-Secoisolariciresinolr;meso-SECO;meso-secoisolanciresinol;meso-secoisolariciresinol;secoisolariciresinol;8S,8'S-secoisolariciresinol;SCHEMBL20402961;HY-N8172;SS-secoisolariciresinol;1,4-Butanediol, 2,3-bis((4-hydroxy-3-methoxyphenyl)methyl)-, (2S,3S)-;E87134;Q27135717;rac Secoisolariciresinol;(2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol;GNU;1,4-Butanediol, 2,3-bis((4-hydroxy-3-methoxyphenyl)methyl)-, (S-(R*,R*))-;75365-01-4;1UK6IPG91I;Secoisolariciresinol, (+)-;CS-0140253;(2S,3S)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol;CHEBI:67247;C20456;MS-25754;UNII-1UK6IPG91I;(2S,3S)-2,3-bis(4-hydroxy-3-methoxybenzyl)butane-1,4-diol;145265-02-7;DA-59444;(2R,3R)-rel-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-butanediol; (R*,R*)-(+/-)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-butanediol; (R*,R*)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-butanediol;;(2S,3S)-2,3-bis((4-hydroxy-3-methoxyphenyl)methyl)butane-1,4-diol;FR27571;(2R,3R)-rel-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-butanediol;(R*,R*)-(+/-)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-but anediol;(R*,R*)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-butanediol;HY-N8172R;(+)-Secoisolariciresinol (Standard);

标识符

MDL:
MFCD01075136
InChIKey:
PUETUDUXMCLALY-HZPDHXFCSA-N
Inchi:
1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1
SMILES:
OC[C@@H](CC1C=CC(=C(C=1)OC)O)[C@@H](CO)CC1C=CC(=C(C=1)OC)O

(+)-secoisolaricresinol(145265-02-7)物化性质

计算特性

  • 精确分子量 : 362.17293854g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 9
  • 同位素质量 : 362.17293854g/mol
  • 重原子数量 : 26
  • 复杂度 : 357
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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) : 2.5
  • 拓扑分子极性表面积 : 99.4Ų

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