10285-07-1 (石松胺,LYCOPSAMINE)

石松胺(10285-07-1)名称与标识符

名称

中文别名:
石松胺;番茄红素;双咪唑 [or 2-正丙基-4-甲基-6-(1'-甲基苯骈咪唑-2-基)苯并咪唑];
英文别名:
(+)-Lycopsamine;[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate;Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-,[(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester,(2S,3S;Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-,[(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester,(2S,3S)-;LYCOPSAMINE;3,4-Didehydroretinol hexadecanoate;3-Dehydroretinol palmitate;3-Dehydroretinyl palmitate;dehydroretinyl palmitate;Retinol,3,4-didehydro-,hexadecanoate;Retinylpalmitat;retronecine-O(9)-(-)-viridifloryl ester;Retronecine 9-(−)-viridiflorate;Lycopsamin;Ccris 9199;Ccirs 9199;(2S,3S)-2,3-Dihydroxy-2-isopropylbutanoic acid [(7R)-7β-hydroxy-5,6,7,7aα-tetrahydro-3H-pyrrolizine-1-yl]methyl ester;(2S,3S)-2,3-Dihydroxy-2-isopropylbutanoic acid [(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizine-7-yl]methyl ester;(1R-(1alpha,7(2S*,3S*),7Abeta))-(2,3,5,7A-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl 2,3-dihydroxy-2-(1-methylethyl)butanoate;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1R,7ar)-2,3,5,7A-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (2S,3S)-;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7A-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1R-(1alpha,7(2S*,3S*),7abeta))-;CHEBI:6598;MFCD09260181;UER4ET3OHI;1ST14171;RETRONECINE 9-((-)-VIRIDIFLORATE);BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1R-(1.ALPHA.,7(2S*,3S*),7A.BETA.))-;DTXCID9068033;Lycopsamine 100 microg/mL in Water;J-000819;SFVVQRJOGUKCEG-ZGFBFQLVSA-N;Q27107262;9-Viridiflorylretronecine;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1R-[1?,7(2S*,3S*),7a?]]-; Lycopsamine (7CI,8CI); (+)-Lycopsamine; 3'-epi-Intermedine; Retronecine 9-((-)-viridiflorate);AKOS040752803;10285-07-1;NS00098507;CS-0089560;((1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl (2S,3S)-2,3-dihydroxy-2-isopropylbutanoate;HY-124916;DTXSID60145542;Lycopsamine, HPLC Grade;[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate;UNII-UER4ET3OHI;3'-EPI-INTERMEDINE;C15H25NO5;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1R-[1a,7(2S*,3S*),7ass]]-; Lycopsamine (7CI,8CI); (+)-Lycopsamine; 3'-epi-Intermedine; Retronecine 9-((-)-viridiflorate);DA-55120;

标识符

MDL:
MFCD09260181
InChIKey:
SFVVQRJOGUKCEG-ZGFBFQLVSA-N
Inchi:
1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15-/m0/s1
SMILES:
O[C@@H]1CCN2CC=C(COC([C@@]([C@H](C)O)(C(C)C)O)=O)[C@@H]21

石松胺(10285-07-1)物化性质

实验特性

  • LogP : -0.38940
  • PSA : 90.23000
  • 折射率 : 1.567
  • 沸点 : 463.3°Cat760mmHg
  • 闪点 : 234°C
  • 溶解度 : 略溶 (16 g/L) (25 ºC),
  • 颜色与性状 : Oil
  • 密度 : 1.26±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 299.17300
  • 氢键供体数量 : 3
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 6
  • 同位素质量 : 299.173273
  • 重原子数量 : 21
  • 复杂度 : 436
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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) : -0.4
  • 拓扑分子极性表面积 : 90.2

石松胺(10285-07-1)安全信息

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