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12,13-二乙酸佛波醇 | 24928-15-2

12,13-二乙酸佛波醇结构式图片|24928-15-2结构式图片
12,13-二乙酸佛波醇
5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,9,9a-bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-
24928-15-2
C24H32O8
448.50608
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:12,13-二乙酸佛波醇结构式
72293
名称和标识符
InChIKey OMHXSAMFEJVCPT-UHFFFAOYSA-N
Inchi InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3
SMILES OCC1CC2(C(C(=CC2C2(O)C(C3C(C)(C)C3(OC(=O)C)C(C2C)OC(=O)C)C=1)C)=O)O
别名信息
- 中文别名 -
  • 12,13-二乙酸佛波醇
- 英文别名 -
  • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,9,9a-bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-
  • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,9,9a-bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahy...
  • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,9,9a-bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxym
  • Phorbol 12,13-diacetate
  • MFCD00036735
  • 12-O-Acetylphorbol-13-acetate
  • [acetoxy-dihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] acetate
  • Phorbol 12,13-diacetate >99%
  • Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acetoxy-4a,7b-dihydroxy-3-hydroxymethyl-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl ester
  • CHEMBL116437
  • SCHEMBL1537765
  • 4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl diacetate
  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,16-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 9,9a-diacetate, (+)
  • 9,9a-Bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate
  • Phorbol 11,12-diacetate
  • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-
  • 4.b.-Phorbol 12,13-diacetate
  • BDBM50080322
  • 4-.beta.-Phorbol 12,13-diacetate
  • Phorbol-12,13-diacetate
  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9,9a-bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • 24928-15-2
  • DTXSID80947808
  • [(1S, 2S, 6R, 10S, 11R, 13S, 14R, 15R)-13-acetyloxy-1, 6-dihydroxy-8-(hydroxymethyl)-4, 12, 12, 15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02, 6.011, 13]pentadeca-3, 8-dienyl] acetate
  • Phorbol 10,11-diacetate
  • Phorbol 12,13-diacetate, powder
物化性质
实验特性
LogP 1.07170
PSA 130.36000
折射率 1.4480 (estimate)
沸点 477.23°C (rough estimate)
闪点 195.4°C
溶解度 H2O: soluble
颜色与性状 未确定
溶解性 未确定
密度 1.1793 (rough estimate)
计算特性
精确分子量 448.21000
氢键供体数量 3
氢键受体数量 8
可旋转化学键数量 5
同位素质量 448.21
重原子数量 32
复杂度 963
同位素原子数量 0
确定原子立构中心数量 8
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) 0.3
互变异构体数量 3
表面电荷 0
拓扑分子极性表面积 130
安全信息
RTECS号 GZ0651000
WGK Germany 3
安全术语 6.1(a)
安全说明 S26; S27; S36/37/39; S45
包装等级 II
包装类别 II
风险术语 R26/27/28; R36/37/38
危险等级 6.1(a)
危险品标志 T+ T+
危险品运输编号 UN 2811 6.1/PG 3
储存条件 −20°C
PackingGroup II
危险类别码 26/27/28-36/37/38
HazardClass 6.1(a)
FLUKA BRAND F CODES 8-10
专业数据库参考
PubChemId 72293
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