(3beta,5Z,7R,8alpha,22E)-3S-tert-Butyldimethylsilyl-9,10-secoergosta-5,10(19),22-triene-7,8-diol
(3beta,5Z,7R,8alpha,22E)-3S-tert-Butyldimethylsilyl-9,10-secoergosta-5,10(19),22-triene-7,8-diol · CAS 131852-63-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3beta,5Z,7R,8alpha,22E)-3S-tert-Butyldimethylsilyl-9,10-secoergosta-5,10(19),22-triene-7,8-diol
- CAS
- 131852-63-6
- CID
- 11124439
- IUPAC 名称
- (1R,3aR,4R,7aR)-4-[(1R,2Z)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]-1-hydroxyethyl]-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3beta,5Z,7R,8alpha,22E)-3S-tert-Butyldimethylsilyl-9,10-secoergosta-5,10(19),22-triene-7,8-diol
- CAS
- 131852-63-6
- CID
- 11124439
- IUPAC 名称
- (1R,3aR,4R,7aR)-4-[(1R,2Z)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]-1-hydroxyethyl]-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
分子属性
- 分子式
- C34H60O3Si
- 分子量
- 544.9 g/mol
- 精确质量
- 544.43117231 Da
- 单同位素质量
- 544.43117231 Da
- XLogP
- 暂无
- 极性表面积
- 49.7 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 9
- 重原子数
- 38
- 净电荷
- 0
- 结构复杂度
- 896
结构标识
- InChIKey
- XDBLYTWRNMYVCA-WXORQISSSA-N
- SMILES
- C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@]2([C@@H](/C=C\3/C[C@H](CCC3=C)O[Si](C)(C)C(C)(C)C)O)O)C
- InChI
- InChI=1S/C34H60O3Si/c1-23(2)24(3)13-14-26(5)29-17-18-30-33(29,9)19-12-20-34(30,36)31(35)22-27-21-28(16-15-25(27)4)37-38(10,11)32(6,7)8/h13-14,22-24,26,28-31,35-36H,4,12,15-21H2,1-3,5-11H3/b14-13+,27-22-/t24-,26+,28-,29+,30+,31+,33+,34+/m0/s1