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稻壳酮A | 51415-07-7

稻壳酮A结构式图片|51415-07-7结构式图片
稻壳酮A
1H-Phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione,8-ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-,(3aR,5aR,8R,10aR,10bR,10cR)-
51415-07-7
C20H26O3
314.41864
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:稻壳酮A结构式
162644
名称和标识符
InChIKey MPHXYQVSOFGNEN-JGHPTVLTSA-N
Inchi InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3/t13-,14-,16-,18-,19-,20+/m1/s1
SMILES CC1(CCC2C(=CC3C4C2(CCC(=O)C4(C(=O)O3)C)C)C1)C=C
别名信息
- 中文别名 -
  • 稻壳酮A
- 英文别名 -
  • 1H-Phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione,8-ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-,(3aR,5aR,8R,10aR,10bR,10cR)-
  • momilactone A
  • (6beta,9beta)-6,18-Epoxypimara-7,15-diene-3,18-dione
  • 6,18-Epoxypimara-7,15-diene-3,18-dione
  • 6,18-Epoxypimara-7,15-diene-3,18-dione
  • CHEMBL2271029
  • CHEMBL2271029
  • (3aR,5aR,8R,10aR,10bR,10cR)-8-Ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-1H-phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione
  • (3aR,5aR,8R,10aR,10bR,10cR)-8-Ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-1H-phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione
  • 5-Ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
  • 5-Ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
  • C18015
  • C18015
  • (3aR,3a1R,5aR,8R,10aR,10bR)-3a,8,10b-Trimethyl-8-vinyl-3a1,5a,7,8,9,10,10a,10b-octahydro-1H-phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione
  • (3aR,3a1R,5aR,8R,10aR,10bR)-3a,8,10b-Trimethyl-8-vinyl-3a1,5a,7,8,9,10,10a,10b-octahydro-1H-phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione
  • LMPR0104080002
  • LMPR0104080002
  • 1H-Phenanthro(10,11-bc)furan-3,4-(2H,3aH)-dione, 8-ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-, (3aR-(3aalpha,5aalpha,8beta,10abeta,10bbeta,10calpha))-
  • 1H-Phenanthro(10,11-bc)furan-3,4-(2H,3aH)-dione, 8-ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-, (3aR-(3aalpha,5aalpha,8beta,10abeta,10bbeta,10calpha))-
  • SCHEMBL2808327
  • SCHEMBL2808327
  • Momilactone A
  • Momilactone A
  • UNII-RJG8M9XC9B
  • UNII-RJG8M9XC9B
  • DTXSID70965733
  • DTXSID70965733
  • 6beta,18-epoxy-9beta-pimara-7,15-diene-3,18-dione
  • 6beta,18-epoxy-9beta-pimara-7,15-diene-3,18-dione
  • Q27104650
  • Q27104650
  • XM165579
  • XM165579
  • (1R,2R,5R,9R,12R,16R)-5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
  • (1R,2R,5R,9R,12R,16R)-5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
  • 3-oxo-9beta-pimara-7,15-dien-19,6beta-olide
  • 3-oxo-9beta-pimara-7,15-dien-19,6beta-olide
  • RJG8M9XC9B
  • RJG8M9XC9B
  • 1H-Phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione, 8-ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-, (3aR,5aR,8R,10aR,10bR,10cR)-
  • 1H-Phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione, 8-ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-, (3aR,5aR,8R,10aR,10bR,10cR)-
  • CHEBI:49191
  • CHEBI:49191
  • Momilacton A
  • Momilacton A
  • 51415-07-7
  • 51415-07-7
  • 3-Oxo-7,15-pimaradien-19,6-olide
物化性质
实验特性
折射率 1.554
沸点 460.1°C at 760 mmHg
闪点 201.8°C
密度 1.14
计算特性
精确分子量 314.188
氢键供体数量 0
氢键受体数量 3
可旋转化学键数量 1
同位素质量 314.188
重原子数量 23
复杂度 647
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 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) 3.8
拓扑分子极性表面积 43.4Ų
相关文献
专业数据库参考
PubChemId 162644
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