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
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)-
123408-96-8
C15H24
204.35106
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击: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)-结构式
名称和标识符
InChIKey |
YONHOSLUBQJXPR-KCQAQPDRSA-N |
Inchi |
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 |
CC([C@H]1CC=C2CCC[C@H](C)[C@@]2(C)C1)=C |
别名信息
- 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
- Aristolochene
- Aristolochen
- (-)-Aristolochene
- 5-epi-Aristolochene
物化性质
实验特性
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 |
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)-推荐生产厂家