139893-27-9 (鄂北新,Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one,1,2,3,3'a,4,4',4a,5',6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-,(2'R,3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,11aS,11bR)-)

结构式:
CAS号:
139893-27-9
中文名称:
鄂北新
英文名称:
Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one,1,2,3,3'a,4,4',4a,5',6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-,(2'R,3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,11aS,11bR)-
分子式:
C27H41NO3
分子量:
427.619348287582

鄂北新(139893-27-9)名称与标识符

名称

中文别名:
鄂北新;
英文别名:
Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one,1,2,3,3'a,4,4',4a,5',6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-,(2'R,3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,11aS,11bR)-;Peimisin;Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one,1,2,3,3'a,4,4',4a,5',6',6a,6...;Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one,1,2,3,3'a,4,4',4a,5',6',6a,6b,7,7',7'a,8,11,11a,11b-octadec;(3beta,5alpha,22S,23R)-3-hydroxy-5,6-dihydro-17,23-epoxyveratraman-6-one;Ebeiensine;Veratraman-6(5H)-one, 17,23-epoxy-3-hydroxy-, (3beta,5alpha,23beta)-;DTXSID10930647;Peimissine;AC-34008;NS00094278;(3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one;MFCD30207851;19773-24-1;3-Hydroxy-5,6-dihydro-17,23-epoxyveratraman-6-one;Pemissine;AKOS015888866;CHEBI:184086;139893-27-9;Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one, 1,2,3,3'a,4,4',4a,5',6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,11aS,11bR)-;Veratraman-6(5H)-one, 17,23-epoxy-3-hydroxy-, (3beta)-;HY-N0214;1ST178246;KYELXPJVGNZIGC-GKFGJCLESA-N;CS-3730;(3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]luorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-uro[3,2-b]pyridine]-5-one;Peimisine;(3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',4a,5,5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-icosahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-5-one;AS-75344;SCHEMBL20544867;

标识符

InChIKey:
KYELXPJVGNZIGC-GKFGJCLESA-N
Inchi:
1S/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1
SMILES:
O1[C@@H]2C[C@H](C)CN[C@H]2[C@@H](C)[C@]21CC[C@@H]1C(=C2C)C[C@@H]2[C@@]3(C)CC[C@@H](C[C@@H]3C(C[C@H]21)=O)O

鄂北新(139893-27-9)物化性质

计算特性

  • 精确分子量 : 427.30864417g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 427.30864417g/mol
  • 重原子数量 : 31
  • 复杂度 : 821
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 11
  • 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 : 58.6Ų