141434-54-0 (2(5H)-呋喃酮,4-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-十六氢-3,6b-二羟基-11b-甲基-10-亚甲基-1H-苯并[a]芴-9-基]-,2(5H)-Furanone,4-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-hexadecahydro-3,6b-dihydroxy-11b-methyl-10-methylene-1H-benzo[a]fluoren-9-yl]-)

CAS号:
141434-54-0
中文名称:
2(5H)-呋喃酮,4-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-十六氢-3,6b-二羟基-11b-甲基-10-亚甲基-1H-苯并[a]芴-9-基]-
英文名称:
2(5H)-Furanone,4-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-hexadecahydro-3,6b-dihydroxy-11b-methyl-10-methylene-1H-benzo[a]fluoren-9-yl]-
分子式:
C23H32O4
分子量:
372.497787475586

2(5H)-呋喃酮,4-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-十六氢-3,6b-二羟基-11b-甲基-10-亚甲基-1H-苯并[a]芴-9-基]-(141434-54-0)名称与标识符

名称

英文别名:
2(5H)-Furanone,4-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-hexadecahydro-3,6b-dihydroxy-11b-methyl-10-methylene-1H-benzo[a]fluoren-9-yl]-;2(5H)-Furanone,4-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-hexadecahydro-3,6b-dihydroxy-11b-methyl-10-methylene-1H-benzo[a]fluoren-;1H-Benzo[a]fluorene,D(17a)-homo-C,18-dinorcard-20(22)-enolide deriv.;2(5H)-Furanone,4-(hexadecahydro-3,6b-dihydroxy-11b-methyl-10-methylene-1H-benzo[a]fluoren-9-yl)-,[3S-(3a,4aa,6aa,6ba,9a,10aa,11ab,11ba)]-;D(17a)-Homo-C,18-dinorcard-20(22)-enolide,3,14-dihydroxy-17a-methylene-, (3b,5b)-;Thevetiogenin;2(5H)-Furanone, 4-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-hexadecahydro-3,6b-dihydroxy-11b-methyl-10-methylene-1H-benzo[a]fluoren-9-yl]-;

标识符

InChIKey:
YCQPAWVNEGZYRV-CHZTYTHISA-N
Inchi:
1S/C23H32O4/c1-13-17(14-9-21(25)27-12-14)6-8-23(26)18-4-3-15-10-16(24)5-7-22(15,2)20(18)11-19(13)23/h9,15-20,24,26H,1,3-8,10-12H2,2H3/t15-,16+,17+,18-,19-,20+,22+,23+/m1/s1
SMILES:
O1CC([C@@H]2C(=C)[C@@]3([H])C[C@@]4([H])[C@]([H])([C@@]3(O)CC2)CC[C@]2([H])C[C@@H](O)CC[C@]42C)=CC1=O

2(5H)-呋喃酮,4-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-十六氢-3,6b-二羟基-11b-甲基-10-亚甲基-1H-苯并[a]芴-9-基]-(141434-54-0)物化性质

实验特性

  • PSA : 66.76
  • 沸点 : 564.1±50.0 °C(Predicted)
  • 酸度系数(pKa) : 14.50±0.70(Predicted)
  • 密度 : 1.23±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 372.23016