68035-45-0 ((+-)-11 epi corynoli,(+-)-11-epi-corynoli)

CAS号:
68035-45-0
中文名称:
(+-)-11 epi corynoli
英文名称:
(+-)-11-epi-corynoli
分子式:
C21H21NO5
分子量:
367.395146131516

(+-)-11 epi corynoli(68035-45-0)名称与标识符

名称

英文别名:
(+-)-11-epi-corynoli;(+-)-13-methyl-(11alphaO)-chelidonine;(+/-)-11-epicorynoline;11-Epicorynalin;11-Epicorynolin;5b,13-dimethyl-(5br,12bc)-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-6c-ol;CHEBI:65660;UNII-ZQ9W3JU6N3;CS-0009858;13,24-Dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;CHEMBL4126384;DTXSID20940272;HY-N0826;[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, (5bR,6S,12bR)-;68035-45-0;Q15410919;(5BR,6S,12BR)-5B,6,7,12B,13,14-HEXAHYDRO-5B,13-DIMETHYL(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL;BDBM50276146;(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;(+)-corynoline;18797-79-0;AKOS015896713;(invertedexclamationmarkA)-Corynoline;AC-35078;AS-75490;Corynoline, >=98% (HPLC);(5bR,6S,12bR)-5b,13-dimethyl-5b,6,7,12b,13,14-hexahydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol;Q-100225;Chelidonine, 13-methyl-;Corynoline;s9085;CCG-268252;SCHEMBL3127828;ZQ9W3JU6N3;(11S,13R,14R)-corynoline;( inverted exclamation markA)-Corynoline;13-methylchelidonine;Corynoline (Standard);HY-N0826R;DTXCID701368743;(5BR,6S,12BR)-5b,13-Dimethyl-5b,6,7,12b,13,14-hexahydro(1,3)benzodioxolo(5,6-c)(1,3)dioxolo(4,5-i)phenanthridin-6-ol;(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo(11.11.0.02,10.04,8.014,22.017,21)tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;FC73889;

标识符

MDL:
MFCD11042250
InChIKey:
IQUGPRHKZNCHGC-TYPHKJRUSA-N
Inchi:
1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1
SMILES:
O[C@H]1CC2C=C3C(=CC=2[C@@H]2[C@@]1(C)C1=CC=C4C(=C1CN2C)OCO4)OCO3

(+-)-11 epi corynoli(68035-45-0)物化性质

计算特性

  • 精确分子量 : 367.14197277g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 0
  • 同位素质量 : 367.14197277g/mol
  • 重原子数量 : 27
  • 复杂度 : 603
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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) : 2.7
  • 拓扑分子极性表面积 : 60.4Ų

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