(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexyl decanoate
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexyl decanoate · CAS 158180-04-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexyl decanoate
- CAS
- 158180-04-2
- CID
- 101611049
- IUPAC 名称
- [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] decanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexyl decanoate
- CAS
- 158180-04-2
- CID
- 101611049
- IUPAC 名称
- [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] decanoate
分子属性
- 分子式
- C37H62O2
- 分子量
- 538.9 g/mol
- 精确质量
- 538.47498122 Da
- 单同位素质量
- 538.47498122 Da
- XLogP
- 12.6
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 16
- 重原子数
- 39
- 净电荷
- 0
- 结构复杂度
- 832
结构标识
- InChIKey
- YRTOSMCHMVJBNY-UEBBDDSESA-N
- SMILES
- CCCCCCCCCC(=O)O[C@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)/C1
- InChI
- InChI=1S/C37H62O2/c1-7-8-9-10-11-12-13-19-36(38)39-33-23-20-29(4)32(27-33)22-21-31-18-15-26-37(6)34(24-25-35(31)37)30(5)17-14-16-28(2)3/h21-22,28,30,33-35H,4,7-20,23-27H2,1-3,5-6H3/b31-21+,32-22-/t30-,33+,34-,35+,37-/m1/s1