trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol · CAS 1884139-61-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
- CAS
- 1884139-61-0
- CID
- 77996
- IUPAC 名称
- trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
- CAS
- 1884139-61-0
- CID
- 77996
- IUPAC 名称
- trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
分子属性
- 分子式
- C27H44O3
- 分子量
- 416.6 g/mol
- 精确质量
- 416.32904526 Da
- 单同位素质量
- 416.32904526 Da
- XLogP
- 5
- 极性表面积
- 60.7 Ų
- 氢键供体
- 3
- 氢键受体
- 3
- 可旋转键
- 5
- 重原子数
- 30
- 净电荷
- 0
- 结构复杂度
- 676
结构标识
- InChIKey
- BPKAHTKRCLCHEA-FOPGHSPUSA-N
- SMILES
- C[C@H](C=C[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3)O)O)C
- InChI
- InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/t18-,19+,22-,23-,24-,25+,27-/m1/s1