126-29-4 (紫黄质,Violaxanthin)

结构式:
CAS号:
126-29-4
中文名称:
紫黄质
英文名称:
Violaxanthin
分子式:
C40H56O4
分子量:
600.870252609253
简介:
紫黄素又叫紫黄质。紫黄质就是叶黄素的一种,是植物激素脱落酸的合成前体。

紫黄质(126-29-4)名称与标识符

名称

中文别名:
6227永固紫W颜料紫27;反-堇菜;紫黄素;紫黄素, 来源于菠菜;紫黄素标准品;紫黄质;三色菫黃質;紫黄素/紫黄质;
英文别名:
b,b-Carotene-3,3'-diol,5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-, (3S,3'S,5R,5'R,6S,6'S)-;(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-;trans-Violaxanthin;trans-Violaxanthin Discontinued See V634510;VIOLAXANTHIN;VIOLAXANTHIN(AS) (In Solution);VIOLAXANTHIN(AS) (In Solution) PrintBack;VIOLAXANTHIN(SH);(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol;all-trans-Violaxanthil;all-trans-Violaxanthin;anti-violaxanthin;E161e;XAT;Zeaxanthin diepoxide;Zeaxanthin diepoxidl;(3S,3′S,5R,5′R,6S,6′S)-5,6:5′,6′-Diepoxy-5,5′,6,6′-tetrahydro-β,β-carotene-3,3′-diol;Violoxanthin;5α,6α:5'α,6'α-Bisoxy-5,5',6,6'-tetrahydro-β,β-carotene-3β,3β'-diol;5α,6α:5'α,6'α-Bisoxy-5,5',6,6'-tetrahydro-β,β-carotene-3β,3'β-diol;(3S,3'S,5R,5'R,6S,6'S,9E)-5,6:5',6'-Bisepoxy-5,5',6,6'-tetrahydro-β,β-carotene-3,3'-diol;(1R,3S,6S)-6-[18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]hept-6-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol;(1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol;(1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol;C08614;Q607883;(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol;(3S,3'S,5R,5'R, 6S,6'S)-5,6:5',6'-Diepoxy-5,5',6,6'-tetrahydro-beta,beta-carotene-3,3'-diol;(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol;5,6:5',6'-DIEPOXY-5,5',6,6'-TETRAHYDRO-.BETA.-CAROTENE-3,3'-DIOL;VIOLAXANTHIN, ALL-TRANS-;51C926029A;CHEBI:35288;.BETA.,.BETA.-CAROTENE-3,3'-DIOL, 5,6:5',6'-DIEPOXY-5,5',6,6'-TETRAHYDRO-, (3S,3'S,5R,5'R,6S,6'S)-;ANTI,ANTI-VIOLAXANTHIN;Violaxanthin, >=90.0% (HPLC);126-29-4;VIOLAXANTHIN [MI];(3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene-3,3'-diol;(3S,3'S,5R,5'R, 6S,6'S)-5,6:5',6'-DIEPOXY-5,5',6,6'-TETRAHYDRO-.BETA.,.BETA.-CAROTENE-3,3'-DIOL;LMPR01070282;5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-diol;(3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL;(3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL;SZCBXWMUOPQSOX-WVJDLNGLSA-N;AKOS040763713;ALL-E-VIOLAXANTHIN;UNII-51C926029A;NS00070421;.BETA.-CAROTENE-3,3'-DIOL, 5,6:5',6'-DIEPOXY-5,5',6,6'-TETRAHYDRO-;beta,beta-Carotene-3,3'-diol, 5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-, (3S,3'S,5R,5'R,6S,6'S)-;C ORANGE 15;(3S,3'S,5R,5'R,6S,6'S)-5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-beta,beta-carotene-3,3'-diol;5,6:5',6'-Diepoxy-5,5',6,6'-tetrahydro-beta-carotene-3,3'-diol;09958A8F-4AFE-43DB-9034-C562F62D8ABD;1ST159340;5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]ACETONITRILE;SCHEMBL97720;DB03460;E 161e;DTXSID901016934;VIOLAXANTHIN (E 161E);HY-N9625;CS-0202315;CHEBI:27295;DTXCID001475117;BETA-CAROTENE-3,3'-DIOL, 5,6:5',6'-DIEPOXY-5,5',6,6'-TETRAHYDRO-;(1R,3S,6S)-6-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)heptan-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-1,5,5-trimethyl-7-oxabicyclo(4.1.0)heptan-3-ol;

标识符

InChIKey:
SZCBXWMUOPQSOX-WVJDLNGLSA-N
Inchi:
1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1
SMILES:
O1[C@]2(C)C[C@H](CC(C)(C)[C@]12/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]12C(C)(C)C[C@@H](C[C@@]1(C)O2)O)/C)/C)O

紫黄质(126-29-4)物化性质

实验特性

  • LogP : 8.96980
  • PSA : 65.52000
  • 折射率 : 1.4760 (estimate)
  • 沸点 : 570.8°C (rough estimate)
  • 熔点 : 200°
  • 闪点 : 380.7°C
  • 溶解性 : 溶于乙醇、乙醚,不溶于石油醚。
  • 比旋光度 : 20Cd +35° (c = 0.08 in chloroform)
  • 密度 : 0.9826 (rough estimate)

计算特性

  • 精确分子量 : 600.41800
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 10
  • 同位素质量 : 600.418
  • 重原子数量 : 44
  • 复杂度 : 1270
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 6
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 9
  • 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) : 9.8
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 65.5A^2

紫黄质(126-29-4)安全信息

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紫黄质(126-29-4)相关文献

紫黄质(126-29-4)参考资料

Beilstein:
101269
PubChem CID: