10308-13-1 (眩晕,Vertine)

结构式:
CAS号:
10308-13-1
中文名称:
眩晕
英文名称:
Vertine
分子式:
C26H29NO5
分子量:
435.512167692184
植物源:

眩晕(10308-13-1)名称与标识符

名称

英文别名:
20H-6,20-Methano-11,15-metheno-1H,8H-benzo[g]pyrido[2,1-d][1,5]oxaazacyclohexadecin-8-one,2,3,4,4a,5,6-hexahydro-14-hydroxy-17,18-dimethoxy-, (4aR,6S,9Z,20S)-;20H-6,20-Methano-11,15-metheno-1H,8H-benzo[g]pyrido[2,1-d][1,5]oxaazacyclohexadecin-8-one,2,3,4,4a,5,6-hexahydro-14-hydroxy-1;Lythran-12-one, 2'-hydroxy-4'',5''-dimethoxy-, (10.α.)-;Vertine【alkaloid】;(10alpha,13Z)-2'-Hydroxy-4'',5''-dimethoxylythran-12-one;18H-6,20-methano-15,11-metheno-2H,6H-pyrido[1,2-b][6,2]benzoxaazacyclohexadecin-18-one, 1,3,4,20,21,21a-hexahydro-12-hydroxy-8,9-dimethoxy-, (6S,16Z,20S,21aR)-;Cryogenine;Vertine;Cryogenine【alkaloid】;(10α)-2'-Hydroxy-4'',5''-dimethoxylythran-12-one;Vertinealkaloid;OR77C8W8TA;Cryogenine (alkaloid);NSC 272693;NSC-272693;AKOS040756358;Lythran-12-one, 2'-hydroxy-4'',5''-dimethoxy-, (10.alpha.)-;(4AR,6S,9Z,20S)-2,3,4,4A,5,6-HEXAHYDRO-14-HYDROXY-17,18-DIMETHOXY-20H-6,20-METHANO-11,15-METHENO-1H,8H-BENZO(G)PYRIDO(2,1-D)(1,5)OXAAZACYCLOHEXADECIN-8-ONE;DTXSID201099973;VERTINE, (+)-;(10.ALPHA.)-4,5-DIMETHOXY-2-HYDROXYLYTHRAN-12-ONE;(4aR,6S,9Z,20S)-2,3,4,4a,5,6-Hexahydro-14-hydroxy-17,18-dimethoxy-20H-6,20-methano-11,15-metheno-1H,8H-benzo[g]pyrido[2,1-d][1,5]oxaazacyclohexadecin-8-one;(10-alpha)-4'',5''-Dimethoxy-2'-hydroxylythran-12-one;CHEMBL1173218;(+)-VERTINE;2'-hydroxy-4'',5''-dimethoxy-10alpha-lythran-12-one;Lythran-12-one, 2'-hydroxy-4'',5''-dimethoxy-, (10alpha)-;10308-13-1;20H-6,20-METHANO-11,15-METHENO-1H,8H-BENZO(G)PYRIDO(2,1-D)(1,5)OXAAZACYCLOHEXADECIN-8-ONE, 2,3,4,4A,5,6-HEXAHYDRO-14-HYDROXY-17,18-DIMETHOXY-, (4AR,6S,9Z,20S)-;(1S,13Z,17S,19R)-9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one;(13Z)-9-Hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one;UNII-OR77C8W8TA;SCHEMBL1119034;CHEBI:3929;Q5190532;lythrine;

标识符

InChIKey:
WCZWUYYJZVBKDZ-VMSBZHFZSA-N
Inchi:
1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/b9-7-/t17-,18+,22+/m1/s1
SMILES:
O1C(C=CC2C=CC(=C(C=2)C2C=C(C(=CC=2[C@@H]2C[C@@H]1C[C@H]1CCCCN12)OC)OC)O)=O |c:2|

眩晕(10308-13-1)物化性质

实验特性

  • LogP : 4.64230
  • PSA : 68.23000
  • 折射率 : 1.643
  • 沸点 : 655.4°C at 760 mmHg
  • 闪点 : 350.2°C
  • 密度 : 1.3

计算特性

  • 精确分子量 : 435.205
  • 氢键供体数量 : 1
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 2
  • 同位素质量 : 435.205
  • 重原子数量 : 32
  • 复杂度 : 698
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 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) : 4.6
  • 拓扑分子极性表面积 : 68.2
  • 分子量 : 435.5

眩晕(10308-13-1)国际标准相关数据

EINECS:
272693

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