(6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
(6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid · CAS 62393-88-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
- CAS
- 62393-88-8
- CID
- 332606
- IUPAC 名称
- (6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
- CAS
- 62393-88-8
- CID
- 332606
- IUPAC 名称
- (6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
分子属性
- 分子式
- C30H46O4
- 分子量
- 470.7 g/mol
- 精确质量
- 470.33960994 Da
- 单同位素质量
- 470.33960994 Da
- XLogP
- 8
- 极性表面积
- 74.6 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 9
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 897
结构标识
- InChIKey
- JGNPDWQZTUZFHK-QATAWRKHSA-N
- SMILES
- C[C@H](CCC=C(C)C(=O)O)C1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C
- InChI
- InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,20,22-23,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,22+,23?,25-,28+,29-,30+/m1/s1