10-hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
10-hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid · CAS 73584-67-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 10-hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
- CAS
- 73584-67-5
- CID
- 500096
- IUPAC 名称
- 10-hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 10-hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
- CAS
- 73584-67-5
- CID
- 500096
- IUPAC 名称
- 10-hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
分子属性
- 分子式
- C39H54O6
- 分子量
- 618.8 g/mol
- 精确质量
- 618.39203944 Da
- 单同位素质量
- 618.39203944 Da
- XLogP
- 8.2
- 极性表面积
- 104 Ų
- 氢键供体
- 3
- 氢键受体
- 6
- 可旋转键
- 6
- 重原子数
- 45
- 净电荷
- 0
- 结构复杂度
- 1230
结构标识
- InChIKey
- RZHJGXXCTIXCRI-UHFFFAOYSA-N
- SMILES
- CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)COC(=O)C=CC6=CC=C(C=C6)O)C(=O)O
- InChI
- InChI=1S/C39H54O6/c1-24-15-20-38(34(43)44)21-22-39(23-45-32(42)14-9-26-7-10-27(40)11-8-26)28(33(38)25(24)2)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-12,14,24-25,29-31,33,40-41H,13,15-23H2,1-6H3,(H,43,44)