8-(6-Hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-ene-16,19-diol
8-(6-Hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-ene-16,19-diol · CAS 191097-54-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 8-(6-Hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-ene-16,19-diol
- CAS
- 191097-54-8
- CID
- 75275660
- IUPAC 名称
- 8-(6-hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-ene-16,19-diol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 8-(6-Hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-ene-16,19-diol
- CAS
- 191097-54-8
- CID
- 75275660
- IUPAC 名称
- 8-(6-hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-ene-16,19-diol
分子属性
- 分子式
- C30H48O4
- 分子量
- 472.7 g/mol
- 精确质量
- 472.35526001 Da
- 单同位素质量
- 472.35526001 Da
- XLogP
- 5.7
- 极性表面积
- 69.9 Ų
- 氢键供体
- 3
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 890
结构标识
- InChIKey
- PAZKUEDDPDHJSO-UHFFFAOYSA-N
- SMILES
- CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4O)C)C
- InChI
- InChI=1S/C30H48O4/c1-19(9-8-14-25(2,3)33)20-12-15-28(7)21-13-16-30-22(10-11-23(31)26(30,4)5)29(21,24(32)34-30)18-17-27(20,28)6/h8,13-14,16,19-24,31-33H,9-12,15,17-18H2,1-7H3