环戊并[c]吨-1-甲醇,1,2,3,3a,4,5,5a,6,11a,11b-十氢-3a,11a-二甲基-a-(1-甲基乙基)-(9CI) | 117176-80-4
环戊并[c]吨-1-甲醇,1,2,3,3a,4,5,5a,6,11a,11b-十氢-3a,11a-二甲基-a-(1-甲基乙基)-(9CI)
Cyclopenta[c]xanthene-1-methanol,1,2,3,3a,4,5,5a,6,11a,11b-decahydro-3a,11a-dimethyl-a-(1-methylethyl)- (9CI)
117176-80-4
C22H32O2
328.48828
名称和标识符
InChIKey |
DVQKSIMSTILIJZ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C22H32O2/c1-14(2)19(23)17-10-12-21(3)11-9-16-13-15-7-5-6-8-18(15)24-22(16,4)20(17)21/h5-8,14,16-17,19-20,23H,9-13H2,1-4H3 |
SMILES |
CC(C(C1CCC2(C)C1C1(OC3=CC=CC=C3CC1CC2)C)O)C |
别名信息
- 英文别名 -
- Cyclopenta[c]xanthene-1-methanol,1,2,3,3a,4,5,5a,6,11a,11b-decahydro-3a,11a-dimethyl-a-(1-methylethyl)- (9CI)
- 1-(3a,11a-dimethyl-1,2,3,4,5,5a,6,11b-octahydrocyclopenta[c]xanthen-1-yl)-2-methylpropan-1-ol
- 1-(3a,11a-dimethyl-1,2,3,3a,4,5,5a,6,11a,11b-decahydrocyclopenta[c]xanthen-1-yl)-2-methylpropan-1-ol
- Uvarisesquiterpene C
- DTXSID40922313
- 117176-80-4
- Cyclopenta(c)xanthene-1-methanol, 1,2,3,3a,4,5,5a,6,11a,11b-decahydro-3a,11a-dimethyl-alpha-(1-methylethyl)-
- 1,2,3,3a,4,5,5a,6,11a,11b-Decahydro-3a,11a-dimethyl-a-(1-methylethyl)-cyclopenta[c]xanthene-1-methanol
物化性质
实验特性
PSA |
29.46 |
折射率 |
1.543 |
沸点 |
435.4°Cat760mmHg |
闪点 |
178.6°C |
密度 |
1.061 |
计算特性
精确分子量 |
328.24036 |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
2 |
同位素质量 |
328.24 |
重原子数量 |
24 |
复杂度 |
475 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
6 |
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) |
5.7 |
拓扑分子极性表面积 |
29.5Ų |