乳香二烯酸
(E,6S)-6-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid · CAS 472-30-0
- 中文名
- 乳香二烯酸
- 中文别名
- 暂无
- 英文名
- (E,6S)-6-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
- CAS
- 472-30-0
- CID
- 15560134
- IUPAC 名称
- (E,6S)-6-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
名称与编号
- 中文名
- 乳香二烯酸
- 中文别名
- 暂无
- 英文名
- (E,6S)-6-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
- CAS
- 472-30-0
- CID
- 15560134
- IUPAC 名称
- (E,6S)-6-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
分子属性
- 分子式
- C30H48O3
- 分子量
- 456.7 g/mol
- 精确质量
- 456.36034539 Da
- 单同位素质量
- 456.36034539 Da
- XLogP
- 7.9
- 极性表面积
- 57.5 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 5
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 853
结构标识
- InChIKey
- UILQHUKSFUOOLH-CTKGHJIASA-N
- SMILES
- C[C@@H](CC/C=C(\C)/C(=O)O)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
- InChI
- InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,22-,24-,25-,28+,29-,30+/m0/s1