59795-94-7 ((+)-2-甲氧基-3,5-二甲基-6-[四氢-4-[(1Z,2E,4E,6E)-2,4,6-三甲基-7-(4-硝基苯基)-2,4,6-庚三烯基]呋喃-2-基]-4H-吡喃-4-酮,2-methoxy-3,5-dimethyl-6-{(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trien-1-ylidene]tetrahydrofuran-2-yl}-4H-pyran-4-one)

CAS号:
59795-94-7
中文名称:
(+)-2-甲氧基-3,5-二甲基-6-[四氢-4-[(1Z,2E,4E,6E)-2,4,6-三甲基-7-(4-硝基苯基)-2,4,6-庚三烯基]呋喃-2-基]-4H-吡喃-4-酮
英文名称:
2-methoxy-3,5-dimethyl-6-{(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trien-1-ylidene]tetrahydrofuran-2-yl}-4H-pyran-4-one
分子式:
C28H31NO6
分子量:
477.548848390579

(+)-2-甲氧基-3,5-二甲基-6-[四氢-4-[(1Z,2E,4E,6E)-2,4,6-三甲基-7-(4-硝基苯基)-2,4,6-庚三烯基]呋喃-2-基]-4H-吡喃-4-酮(59795-94-7)名称与标识符

名称

中文别名:
(+)-2-甲氧基-3,5-二甲基-6-[四氢-4-[(1Z,2E,4E,6E)-2,4,6-三甲基-7-(4-硝基苯基)-2,4,6-庚三烯基]呋喃-2-基]-4H-吡喃-4-酮;
英文别名:
2-methoxy-3,5-dimethyl-6-{(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trien-1-ylidene]tetrahydrofuran-2-yl}-4H-pyran-4-one;(+)-2-Methoxy-3,5-dimethyl-6-[tetrahydro-4-[(1Z,2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]furan-2-yl]-4H-pyran-4-one;2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]oxolan-2-yl]pyran-4-one;2-methoxy-3,5-dimethyl-6-{(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trien-1-ylidene]tetrahydrofuran-2-y;(+/-)-spectinabilin;1-hydroxy-3,6-diisobutyl-1H-pyrazin-2-one;2-Hydroxy-3,6-diisobutyl-pyrazin-1-oxid;AC1NUQTU;ASPERGILLIC ACID ANALOG;Neoaspergillic Acid;Neoaspergillussaeure;Neoaspergillussaeure, 3,6-Diisobutyl-1-oxo-pyrazin-2-ol;Neoaspergilsaeure;Neoaureothin;NSC356436;Q18392327;4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-[tetrahydro-4-[2,4,6-trimethyl-7-(p-nitrophenyl)-2,4,6-heptatrienylidene]-2-furyl]-, (+)-;DTXSID101043872;NSC 260179;Neoaureothin*;UNII-NH93BW6NAQ;2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]tetrahydrofuran-2-yl]pyran-4-one;2-Methoxy-3,5-dimethyl-6-((4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]tetrahydro-2-furanyl)-4H-pyran-4-one #;NSC-260179;J-017320;IZICQJAGBLBAMJ-MNOZRKQQSA-N;4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-((4Z)-tetrahydro-4-((2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene)-2-furanyl)-;59795-94-7;CHEMBL2005277;28900-27-8;Spectinabilin;4H-Pyran-4-one,5-dimethyl-6-[tetrahydro-4-[2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]-2-furanyl]-;(+)-2-Methoxy-3,5-dimethyl-6-[4-[7-(4-nitrophenyl)-2,4,6-trimethyl-2,4,6-heptatrienylidene]tetrahydrofuran-2-yl]-4H-pyran-4-one;NH93BW6NAQ;NSC260179;4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-[tetrahydro-4-[2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]-2-furanyl]-, (+)-;DB-289590;(+)-2-Methoxy-3,5-dimethyl-6-[tetrahydro-4-[(1z,2e,4e,6e)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]furan-2-yl ]-4h-pyran-4-one;Neoaureothin, NSC 260179, Spectinabilin;

标识符

InChIKey:
IZICQJAGBLBAMJ-MNOZRKQQSA-N
Inchi:
1S/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-14,25H,15-16H2,1-6H3/b17-11+,18-13+,19-12+,23-14-
SMILES:
O1C/C(=C\C(\C)=C\C(\C)=C\C(\C)=C\C2C=CC(=CC=2)[N+](=O)[O-])/CC1C1=C(C)C(C(C)=C(OC)O1)=O

(+)-2-甲氧基-3,5-二甲基-6-[四氢-4-[(1Z,2E,4E,6E)-2,4,6-三甲基-7-(4-硝基苯基)-2,4,6-庚三烯基]呋喃-2-基]-4H-吡喃-4-酮(59795-94-7)物化性质

实验特性

  • PSA : 87.9

计算特性

  • 精确分子量 : 477.21523
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 6
  • 同位素质量 : 477.21513771g/mol
  • 重原子数量 : 35
  • 复杂度 : 1040
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 4
  • 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) : 6.2
  • 拓扑分子极性表面积 : 90.6Ų

(+)-2-甲氧基-3,5-二甲基-6-[四氢-4-[(1Z,2E,4E,6E)-2,4,6-三甲基-7-(4-硝基苯基)-2,4,6-庚三烯基]呋喃-2-基]-4H-吡喃-4-酮(59795-94-7)相关文献