123408-96-8 (萘,1,2,3,4,6,7,8,8a-八氢-1,8a-二甲基-7-(1-甲基乙烯基)-,(1S,7S,8aR)-,Naphthalene,1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S,7S,8aR)-)

CAS号:
123408-96-8
中文名称:
萘,1,2,3,4,6,7,8,8a-八氢-1,8a-二甲基-7-(1-甲基乙烯基)-,(1S,7S,8aR)-
英文名称:
Naphthalene,1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S,7S,8aR)-
分子式:
C15H24
分子量:
204.351064682007

萘,1,2,3,4,6,7,8,8a-八氢-1,8a-二甲基-7-(1-甲基乙烯基)-,(1S,7S,8aR)-(123408-96-8)名称与标识符

名称

英文别名:
Naphthalene,1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S,7S,8aR)-;(4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;(4S,4aR,6S)-6-Isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene;Q3622703;4,5-di-epi-Aristoloshene;C02004;Naphthalene, 1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S-(1alpha,7beta,8aalpha))-;aristolochene;DTXSID90349637;Naphthalene, 1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S,7S,8aR)-;Aristolochene, (+)-;(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene 7betaH-eremophila-9,11-diene;7betaH-eremophila-9,11-diene;(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene;CHEBI:43445;(1S,7S,8aR)-aristolochene;(1S,7S,8aR)-1,2,3,4,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylethenyl)naphthalene;459BG6ZY5H;UNII-459BG6ZY5H;YONHOSLUBQJXPR-KCQAQPDRSA-N;(+)-Aristolochene;NAPHTHALENE, 1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,7.BETA.,8A.ALPHA.))-;LMPR0103270003;123408-96-8;(+)-Epiaristolochene;Aristolochen;(-)-Aristolochene;5-epi-Aristolochene;

标识符

InChIKey:
YONHOSLUBQJXPR-KCQAQPDRSA-N
Inchi:
1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1
SMILES:
[C@@]12(C)C(=CC[C@H](C(=C)C)C1)CCC[C@@H]2C

萘,1,2,3,4,6,7,8,8a-八氢-1,8a-二甲基-7-(1-甲基乙烯基)-,(1S,7S,8aR)-(123408-96-8)物化性质

实验特性

  • PSA : 0

计算特性

  • 精确分子量 : 204.18792
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 1
  • 同位素质量 : 204.187800766g/mol
  • 重原子数量 : 15
  • 复杂度 : 297
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 5.2
  • 拓扑分子极性表面积 : 0Ų