144506-66-1 (乙酮,1-[(4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-7-乙基-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-十六氢-12-羟基-4b,7,10a,12a-四甲基-2-乙炔基]-,Ethanone,1-[(4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-7-ethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-12-hydroxy-4b,7,10a,12a-tetramethyl-2-chrysenyl]-)

CAS号:
144506-66-1
中文名称:
乙酮,1-[(4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-7-乙基-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-十六氢-12-羟基-4b,7,10a,12a-四甲基-2-乙炔基]-
英文名称:
Ethanone,1-[(4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-7-ethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-12-hydroxy-4b,7,10a,12a-tetramethyl-2-chrysenyl]-
分子式:
C26H42O2
分子量:
386.610488414764

乙酮,1-[(4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-7-乙基-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-十六氢-12-羟基-4b,7,10a,12a-四甲基-2-乙炔基]-(144506-66-1)名称与标识符

名称

英文别名:
Ethanone,1-[(4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-7-ethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-12-hydroxy-4b,7,10a,12a-tetramethyl-2-chrysenyl]-;D(17a)-Homopregn-16-en-20-one,4-ethyl-12-hydroxy-4,8-dimethyl-, (4b,5a,12a)-;Ethanone,1-(7-ethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-12-hydroxy-4b,7,10a,12a-tetramethyl-2-chrysenyl)-,[4aS-(4aa,4bb,6aa,7b,10ab,10ba,12a,12ab)]-;Phyllofenone A;Ethanone, 1-[(4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-7-ethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-12-hydroxy-4b,7,10a,12a-tetramethyl-2-chrysenyl]-;

标识符

InChIKey:
BUJHJFXJJBYXIF-LMKDVLHLSA-N
Inchi:
1S/C26H42O2/c1-7-23(3)12-8-13-24(4)19(23)11-14-25(5)20-10-9-18(17(2)27)16-26(20,6)22(28)15-21(24)25/h9,19-22,28H,7-8,10-16H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26+/m0/s1
SMILES:
C(=O)(C1=CC[C@]2([H])[C@@](C)(C1)[C@@H](O)C[C@@]1([H])[C@@]2(C)CC[C@]2([H])[C@]1(C)CCC[C@@]2(CC)C)C

乙酮,1-[(4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-7-乙基-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-十六氢-12-羟基-4b,7,10a,12a-四甲基-2-乙炔基]-(144506-66-1)物化性质

实验特性

  • PSA : 37.3
  • 沸点 : 483.5±45.0 °C(Predicted)
  • 酸度系数(pKa) : 14.72±0.70(Predicted)
  • 密度 : 1.011±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 386.31866