27740-15-4 (萘并[1,2-b]呋喃-2,8(3H,4H)-二酮,3a,5,5a,6,7,9b-六氢-6-羟基-5a,9-二甲基-3-亚甲基-,(3aS,5aR,6S,9bS)-,Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,6,7,9b-hexahydro-6-hydroxy-5a,9-dimethyl-3-methylene-,(3aS,5aR,6S,9bS)-)

CAS号:
27740-15-4
中文名称:
萘并[1,2-b]呋喃-2,8(3H,4H)-二酮,3a,5,5a,6,7,9b-六氢-6-羟基-5a,9-二甲基-3-亚甲基-,(3aS,5aR,6S,9bS)-
英文名称:
Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,6,7,9b-hexahydro-6-hydroxy-5a,9-dimethyl-3-methylene-,(3aS,5aR,6S,9bS)-
分子式:
C15H18O4
分子量:
262.301024913788

萘并[1,2-b]呋喃-2,8(3H,4H)-二酮,3a,5,5a,6,7,9b-六氢-6-羟基-5a,9-二甲基-3-亚甲基-,(3aS,5aR,6S,9bS)-(27740-15-4)名称与标识符

名称

英文别名:
Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,6,7,9b-hexahydro-6-hydroxy-5a,9-dimethyl-3-methylene-,(3aS,5aR,6S,9bS)-;(3aS)-3aβ,5,5a,6,7,9bα-Hexahydro-6β-hydroxy-5aα,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2,8(3H,4H)-dione;AKOS040752724;(3AS,5AR,6S,9BS)-3A,5,5A,6,7,9B-HEXAHYDRO-6-HYDROXY-5A,9-DIMETHYL-3-METHYLENENAPHTHO(1,2-B)FURAN-2,8(3H,4H)-DIONE;(3aS, 5aR, 6S, 9bS)-6-hydroxy-5a, 9-dimethyl-3-methylidene-3a, 4, 5, 6, 7, 9b-hexahydrobenzo[g][1]benzofuran-2, 8-dione;6-Hydroxy-5a,9-dimethyl-3-methylidene-3a,5,5a,6,7,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione;27740-15-4;NAPHTHO(1,2-B)FURAN-2,8(3H,4H)-DIONE, 3A,5,5A,6,7,9B-HEXAHYDRO-6-HYDROXY-5A,9-DIMETHYL-3-METHYLENE-, (3AS,5AR,6S,9BS)-;A,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2,8(3H,4H)-dione;A-hydroxy-5a;A-Hexahydro-6;Ludovicin C;DTXSID80950438;A,5,5a,6,7,9b;EUDESMA-4,11(13)-DIEN-12-OIC ACID, 1.ALPHA.,6.ALPHA.-DIHYDROXY-3-OXO-, .GAMMA.-LACTONE;UNII-MOY9ZV6M69;(3aS)-3a;MOY9ZV6M69;(3aS,5aR,6S,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,9b-hexahydrobenzo[g][1]benzofuran-2,8-dione;Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,6,7,9b-hexahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS-(3aalpha,5abeta,6alpha,9bbeta))-;

标识符

InChIKey:
QPXLDBMZJNDASA-PBLBJHRBSA-N
Inchi:
1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3/t9-,11-,13-,15-/m0/s1
SMILES:
O1C(C(=C)[C@@H]2CC[C@@]3(C)[C@H](CC(C(C)=C3[C@@H]12)=O)O)=O

萘并[1,2-b]呋喃-2,8(3H,4H)-二酮,3a,5,5a,6,7,9b-六氢-6-羟基-5a,9-二甲基-3-亚甲基-,(3aS,5aR,6S,9bS)-(27740-15-4)物化性质

实验特性

  • PSA : 63.6

计算特性

  • 精确分子量 : 262.12054
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 262.12050905g/mol
  • 重原子数量 : 19
  • 复杂度 : 530
  • 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 : 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) : 0.8
  • 拓扑分子极性表面积 : 63.6Ų