160669-32-9 (2(5H)-呋喃酮,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-八氢-4,7-二羟基-2,5,5,8a-四甲基-1-萘基]乙基]-,2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-)

CAS号:
160669-32-9
中文名称:
2(5H)-呋喃酮,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-八氢-4,7-二羟基-2,5,5,8a-四甲基-1-萘基]乙基]-
英文名称:
2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-
分子式:
C20H30O4
分子量:
334.449806690216

2(5H)-呋喃酮,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-八氢-4,7-二羟基-2,5,5,8a-四甲基-1-萘基]乙基]-(160669-32-9)名称与标识符

名称

英文别名:
2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-;2(5H)-Furanone,4-[2-(3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)ethyl]-,[4S-(4a,4aa,7a,8ab)]-;Amoenolide C;2(5H)-Furanone, 4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-;

标识符

InChIKey:
WJXIJEONHYOELN-PFSLXQJOSA-N
Inchi:
1S/C20H30O4/c1-12-7-16(22)18-19(2,3)9-14(21)10-20(18,4)15(12)6-5-13-8-17(23)24-11-13/h8,14,16,18,21-22H,5-7,9-11H2,1-4H3/t14-,16-,18-,20+/m0/s1
SMILES:
O1CC(CCC2[C@]3(C)[C@]([H])(C(C)(C)C[C@H](O)C3)[C@@H](O)CC=2C)=CC1=O

2(5H)-呋喃酮,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-八氢-4,7-二羟基-2,5,5,8a-四甲基-1-萘基]乙基]-(160669-32-9)物化性质

实验特性

  • PSA : 66.76
  • 沸点 : 507.3±50.0 °C(Predicted)
  • 酸度系数(pKa) : 14.57±0.70(Predicted)
  • 密度 : 1.130±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 334.2145