53202-98-5 (12-O-十六烷酰基-16-羟基佛波醇-13-乙酸酯,12-O-Hexadecanoyl-16-hydroxyphorbol-13-acetate)

CAS号:
53202-98-5
中文名称:
12-O-十六烷酰基-16-羟基佛波醇-13-乙酸酯
英文名称:
12-O-Hexadecanoyl-16-hydroxyphorbol-13-acetate
分子式:
C38H60O9
分子量:
660.877613067627

12-O-十六烷酰基-16-羟基佛波醇-13-乙酸酯(53202-98-5)名称与标识符

名称

中文别名:
16-羟基佛波醇12-十六烷酸酯13-酸酯盐;
英文别名:
Hexadecanoic acid,(1S,1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester (9CI);Hexadecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (1S-(1.α.,1a.α.,1b.β.;Hexadecanoic acid,(1S,1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-...;Hexadecanoic acid,(1S,1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-b;PHORBOL 16-HYDROXY 12-PALMITATE 13-ACETATE;12-O-Hexadecanoyl-16-hydroxyphorbol-13-acetate, 16-OH-Phorbol 12-palmitate-13-acetate, HHPA;16-HYDROXYPHORBOL 12-PALMITATE 13-ACETATE;amp;croton factor F1;PHORBOL 16-HYDROXY 12-PALMITATE 13- &12-O-Hexadecanoyl-16-hydroxyphorbol-13-acetate;PHORBOL-13-ACETATE, 12-O-PALMITOYL-16-HYDROXY;(1S,1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl hexadecanoate;C09153;NSC338250;53202-98-5;DTXSID301098259;[(1S,2S,6R,10S,11R,12S,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate;Hexadecanoic acid,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (1S-(1.alpha.,1a.alpha.,1b.beta.,4a.beta.,7a.alpha.,7b.alpha.,8.alpha.,9.beta.,9a.alpha.))-;CHEBI:744;NSC-338250;12-O-Palmitoyl-16-hydroxyphorbol 13-acetate;Q27105348;12-O-Palmitoyl-16-hydroxyphorbol-13-acetate;CHEMBL4296990;Hexadecanoic acid, (1S,1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester;16-hydroxyphorbol 13-decanoate 12-palmitate;

标识符

InChIKey:
DYHBGVHTKOPQDM-SGPTVBMASA-N
Inchi:
1S/C38H60O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(42)46-34-26(3)37(45)29(32-35(5,24-40)38(32,34)47-27(4)41)21-28(23-39)22-36(44)30(37)20-25(2)33(36)43/h20-21,26,29-30,32,34,39-40,44-45H,6-19,22-24H2,1-5H3/t26-,29+,30-,32-,34-,35-,36-,37-,38-/m1/s1
SMILES:
O(C(C)=O)[C@@]12[C@@H]([C@@H](C)[C@@]3([C@@H]4C=C(C)C([C@]4(CC(CO)=C[C@H]3[C@@H]1[C@@]2(C)CO)O)=O)O)OC(CCCCCCCCCCCCCCC)=O

12-O-十六烷酰基-16-羟基佛波醇-13-乙酸酯(53202-98-5)物化性质

实验特性

  • PSA : 150.59
  • 折射率 : 1.5290 (estimate)
  • 沸点 : 603.09°C (rough estimate)
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.0207 (rough estimate)

计算特性

  • 精确分子量 : 660.4239
  • 氢键供体数量 : 9
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 20
  • 同位素质量 : 660.42373349g/mol
  • 重原子数量 : 0
  • 复杂度 : 1210
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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) : 6.4
  • 互变异构体数量 : 3
  • 表面电荷 : 47
  • 拓扑分子极性表面积 : 151

12-O-十六烷酰基-16-羟基佛波醇-13-乙酸酯(53202-98-5)安全信息

12-O-十六烷酰基-16-羟基佛波醇-13-乙酸酯(53202-98-5)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
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上海依赫生物科技有限公司 17721395025
021-68882955
张经理 2423903095
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