(1R,8R,9R,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9,15-tetrol
(1R,8R,9R,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9,15-tetrol · CAS 165074-00-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,8R,9R,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9,15-tetrol
- CAS
- 165074-00-0
- CID
- 91884992
- IUPAC 名称
- (1R,8R,9R,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9,15-tetrol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,8R,9R,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9,15-tetrol
- CAS
- 165074-00-0
- CID
- 91884992
- IUPAC 名称
- (1R,8R,9R,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9,15-tetrol
分子属性
- 分子式
- C20H28O5
- 分子量
- 348.4 g/mol
- 精确质量
- 348.19367399 Da
- 单同位素质量
- 348.19367399 Da
- XLogP
- 3.2
- 极性表面积
- 90.2 Ų
- 氢键供体
- 4
- 氢键受体
- 5
- 可旋转键
- 1
- 重原子数
- 25
- 净电荷
- 0
- 结构复杂度
- 534
结构标识
- InChIKey
- BIRAIVMEZFVLJK-KWADOOBBSA-N
- SMILES
- CC(C)C1=C(C(=C2C(=C1)[C@@H]3[C@@H]([C@@H]4[C@@]2(CCCC4(C)C)C(O3)O)O)O)O
- InChI
- InChI=1S/C20H28O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-18,21-24H,5-7H2,1-4H3/t15-,16+,17-,18?,20-/m0/s1