11054-58-3 (环癸并[b]呋喃-2(3H)-酮,5-(乙酰氧基)-10-[(乙酰氧基)甲基]-3a,4,5,8,9,11a-六氢-6-甲基-3-亚甲基-(3aS,5S,6E,10Z,11aR)-,Cyclodeca[b]furan-2(3H)-one,5-(acetyloxy)-10-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-methyl-3-methylene-,(3aS,5S,6E,10Z,11aR)-)

CAS号:
11054-58-3
中文名称:
环癸并[b]呋喃-2(3H)-酮,5-(乙酰氧基)-10-[(乙酰氧基)甲基]-3a,4,5,8,9,11a-六氢-6-甲基-3-亚甲基-(3aS,5S,6E,10Z,11aR)-
英文名称:
Cyclodeca[b]furan-2(3H)-one,5-(acetyloxy)-10-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-methyl-3-methylene-,(3aS,5S,6E,10Z,11aR)-
分子式:
C19H24O6
分子量:
348.390266418457
植物源:

环癸并[b]呋喃-2(3H)-酮,5-(乙酰氧基)-10-[(乙酰氧基)甲基]-3a,4,5,8,9,11a-六氢-6-甲基-3-亚甲基-(3aS,5S,6E,10Z,11aR)-(11054-58-3)名称与标识符

名称

英文别名:
Cyclodeca[b]furan-2(3H)-one,5-(acetyloxy)-10-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-methyl-3-methylene-,(3aS,5S,6E,10Z,11aR)-;Cyclodeca[b]furan-2(3H)-one,5-(acetyloxy)-10-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-methyl-3-methylene-,(3aS,5S,6E,10;Cyclodeca[b]furan-2(3H)-one,5-(acetyloxy)-10-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-methyl-3-methylene-,[3aS-(3aR*,5R*,6E,10Z,11aS*)]-;Idomain;Stenophyllolide, diacetate (8CI);Cyclodeca[b]furan-2(3H)-one, 5-(acetyloxy)-10-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-methyl-3-methylene-, (3aS,5S,6E,10Z,11aR)-;

标识符

InChIKey:
UAGIDIZQJQHUEH-MWEJNTSSSA-N
Inchi:
1S/C19H24O6/c1-11-6-5-7-15(10-23-13(3)20)8-18-16(12(2)19(22)25-18)9-17(11)24-14(4)21/h6,8,16-18H,2,5,7,9-10H2,1,3-4H3/b11-6+,15-8-/t16-,17-,18+/m0/s1
SMILES:
O1C(=O)C(=C)[C@]2([H])C[C@H](OC(C)=O)C(C)=CCCC(COC(C)=O)=C[C@@]12[H] |t:14,23|

环癸并[b]呋喃-2(3H)-酮,5-(乙酰氧基)-10-[(乙酰氧基)甲基]-3a,4,5,8,9,11a-六氢-6-甲基-3-亚甲基-(3aS,5S,6E,10Z,11aR)-(11054-58-3)物化性质

实验特性

  • PSA : 78.9
  • 沸点 : 495.2±45.0 °C(Predicted)
  • 密度 : 1.17±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 348.15732
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 重原子数量 : 25
  • 疏水参数计算参考值(XlogP) : 1.721