118696-65-4 (外向-8-苄基-8-氮杂双环[3.2.1]辛-3-胺,(3aR,4R,5R,6aS)-4-3-(Ethyleneketal)decanylhexahydro-5-hydroxy-2H-cyclopentabfuran-2-one)

CAS号:
118696-65-4
中文名称:
外向-8-苄基-8-氮杂双环[3.2.1]辛-3-胺
英文名称:
(3aR,4R,5R,6aS)-4-3-(Ethyleneketal)decanylhexahydro-5-hydroxy-2H-cyclopentabfuran-2-one
分子式:
C19H32O5
分子量:
340.454386711121

外向-8-苄基-8-氮杂双环[3.2.1]辛-3-胺(118696-65-4)名称与标识符

名称

中文别名:
(3Ar,4r,5r,6as)-4-[3-(乙烯酮)癸基]六氢-5-羟基-2H-环戊并[b]呋喃-2-酮;外向-8-苄基-8-氮杂双环[3.2.1]辛-3-胺;
英文别名:
(3aR,4R,5R,6aS)-4-[3-(Ethyleneketal)decanyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one;(3aR,4R,6aS)-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)ethyl]-5-hydroxyhex ahydro-2H-cyclopenta[b]furan-2-one;[3aR-(3aα,4α,5β,6aα)]-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)ethyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one;

标识符

InChIKey:
ATVQZEZXTPHWTH-QZWWFDLISA-N
Inchi:
1S/C19H32O5/c1-2-3-4-5-6-8-19(22-10-11-23-19)9-7-14-15-12-18(21)24-17(15)13-16(14)20/h14-17,20H,2-13H2,1H3/t14-,15+,16+,17+/m1/s1
SMILES:
[C@@H]12OC(=O)C[C@H]1[C@@H](CCC1(OCCO1)CCCCCCC)[C@@H](O)C2

外向-8-苄基-8-氮杂双环[3.2.1]辛-3-胺(118696-65-4)物化性质

实验特性

  • LogP : 3.18270
  • PSA : 64.99000

计算特性

  • 精确分子量 : 340.22500