(1S,3R,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
(1S,3R,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one · CAS 155060-48-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,3R,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
- CAS
- 155060-48-3
- CID
- 44423579
- IUPAC 名称
- (1S,3R,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,3R,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
- CAS
- 155060-48-3
- CID
- 44423579
- IUPAC 名称
- (1S,3R,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
分子属性
- 分子式
- C30H50O3
- 分子量
- 458.7 g/mol
- 精确质量
- 458.37599545 Da
- 单同位素质量
- 458.37599545 Da
- XLogP
- 7
- 极性表面积
- 57.5 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 5
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 830
结构标识
- InChIKey
- JCGYBQRUVSZLCH-DSDGCTLRSA-N
- SMILES
- C[C@H](CCC(C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CCC(=O)C5(C)C)C)C
- InChI
- InChI=1S/C30H50O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-22,24,32-33H,8-18H2,1-7H3/t19-,20-,21+,22+,24?,27-,28+,29-,30+/m1/s1