(R)-methyl 4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-bis(tosyloxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(R)-methyl 4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-bis(tosyloxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate · CAS 1184-20-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (R)-methyl 4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-bis(tosyloxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- CAS
- 1184-20-9
- CID
- 23250092
- IUPAC 名称
- methyl (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-bis-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (R)-methyl 4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-bis(tosyloxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- CAS
- 1184-20-9
- CID
- 23250092
- IUPAC 名称
- methyl (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-bis-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
分子属性
- 分子式
- C39H54O8S2
- 分子量
- 715 g/mol
- 精确质量
- 714.32601102 Da
- 单同位素质量
- 714.32601102 Da
- XLogP
- 9.3
- 极性表面积
- 130 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 11
- 重原子数
- 49
- 净电荷
- 0
- 结构复杂度
- 1370
结构标识
- InChIKey
- VLWUGOWENZPUIF-UXSAIDSISA-N
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4C[C@@H]([C@@H]3C2)OS(=O)(=O)C6=CC=C(C=C6)C)CC[C@@H]5[C@H](C)CCC(=O)OC)C)C
- InChI
- InChI=1S/C39H54O8S2/c1-25-7-12-29(13-8-25)48(41,42)46-28-19-21-39(5)34-20-22-38(4)32(27(3)11-18-37(40)45-6)16-17-33(38)31(34)24-36(35(39)23-28)47-49(43,44)30-14-9-26(2)10-15-30/h7-10,12-15,27-28,31-36H,11,16-24H2,1-6H3/t27-,28-,31+,32-,33+,34+,35+,36+,38-,39-/m1/s1