(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid · CAS 262272-76-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
- CAS
- 262272-76-4
- CID
- 91825847
- IUPAC 名称
- (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
- CAS
- 262272-76-4
- CID
- 91825847
- IUPAC 名称
- (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
分子属性
- 分子式
- C31H46O7
- 分子量
- 530.7 g/mol
- 精确质量
- 530.3243538 Da
- 单同位素质量
- 530.3243538 Da
- XLogP
- 5.5
- 极性表面积
- 118 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子数
- 38
- 净电荷
- 0
- 结构复杂度
- 1070
结构标识
- InChIKey
- HYMCMWIFWYXIRT-MMOPMGNUSA-N
- SMILES
- CC(=O)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C(=O)O)OC(=O)C)C)C(=O)O
- InChI
- InChI=1S/C31H46O7/c1-17(32)19-9-14-31(26(36)37)16-15-28(4)20(24(19)31)7-8-21-27(3)12-11-23(38-18(2)33)30(6,25(34)35)22(27)10-13-29(21,28)5/h19-24H,7-16H2,1-6H3,(H,34,35)(H,36,37)/t19-,20+,21+,22+,23+,24+,27+,28+,29+,30?,31-/m0/s1