(3alpha,7E,8xi)-7-[2-(4-Methylbenzene-1-sulfonyl)hydrazinylidene]cholest-5-en-3-yl acetate
(3alpha,7E,8xi)-7-[2-(4-Methylbenzene-1-sulfonyl)hydrazinylidene]cholest-5-en-3-yl acetate · CAS 54201-67-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3alpha,7E,8xi)-7-[2-(4-Methylbenzene-1-sulfonyl)hydrazinylidene]cholest-5-en-3-yl acetate
- CAS
- 54201-67-1
- CID
- 71752616
- IUPAC 名称
- [(3R,7E,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3alpha,7E,8xi)-7-[2-(4-Methylbenzene-1-sulfonyl)hydrazinylidene]cholest-5-en-3-yl acetate
- CAS
- 54201-67-1
- CID
- 71752616
- IUPAC 名称
- [(3R,7E,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
分子属性
- 分子式
- C36H54N2O4S
- 分子量
- 610.9 g/mol
- 精确质量
- 610.38042938 Da
- 单同位素质量
- 610.38042938 Da
- XLogP
- 9.6
- 极性表面积
- 93.2 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 10
- 重原子数
- 43
- 净电荷
- 0
- 结构复杂度
- 1180
结构标识
- InChIKey
- RBQQZFYOHCDZNN-MLLYIQKQSA-N
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)N/N=C\2/C=C3C[C@@H](CC[C@@]3([C@@H]4C2[C@@H]5CC[C@@H]([C@]5(CC4)C)[C@H](C)CCCC(C)C)C)OC(=O)C
- InChI
- InChI=1S/C36H54N2O4S/c1-23(2)9-8-10-25(4)30-15-16-31-34-32(18-20-36(30,31)7)35(6)19-17-28(42-26(5)39)21-27(35)22-33(34)37-38-43(40,41)29-13-11-24(3)12-14-29/h11-14,22-23,25,28,30-32,34,38H,8-10,15-21H2,1-7H3/b37-33-/t25-,28-,30-,31+,32+,34?,35+,36-/m1/s1