2-[(10S,13S,14S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
2-[(10S,13S,14S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid · CAS 174391-64-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[(10S,13S,14S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
- CAS
- 174391-64-1
- CID
- 11854306
- IUPAC 名称
- 2-[(10S,13S,14S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[(10S,13S,14S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
- CAS
- 174391-64-1
- CID
- 11854306
- IUPAC 名称
- 2-[(10S,13S,14S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
分子属性
- 分子式
- C32H50O4
- 分子量
- 498.7 g/mol
- 精确质量
- 498.37091007 Da
- 单同位素质量
- 498.37091007 Da
- XLogP
- 8
- 极性表面积
- 63.6 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 7
- 重原子数
- 36
- 净电荷
- 0
- 结构复杂度
- 969
结构标识
- InChIKey
- FIWGZIBLJWZUEA-VOKVCYHDSA-N
- SMILES
- CC(=CCCC(C1CC[C@]2([C@]1(CCC3=C2CCC4[C@@]3(CCC(C4(C)C)OC(=O)C)C)C)C)C(=O)O)C
- InChI
- InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22?,23?,26?,27?,30-,31+,32-/m1/s1