(1S,6S,14R,18S)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
(1S,6S,14R,18S)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione · CAS 185051-75-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,6S,14R,18S)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
- CAS
- 185051-75-6
- CID
- 5319045
- IUPAC 名称
- (1S,6S,14R,18S)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,6S,14R,18S)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
- CAS
- 185051-75-6
- CID
- 5319045
- IUPAC 名称
- (1S,6S,14R,18S)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
分子属性
- 分子式
- C30H44O4
- 分子量
- 468.7 g/mol
- 精确质量
- 468.32395988 Da
- 单同位素质量
- 468.32395988 Da
- XLogP
- 6.1
- 极性表面积
- 55.9 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 0
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 1010
结构标识
- InChIKey
- ATQBPBZOVWXRTA-UKKGJKSLSA-N
- SMILES
- C[C@]12CCC(=O)C(C1CC[C@@]3(C2C4C(O4)[C@@]56C3(CC[C@@]7(C5CC(CC7)(C)C)C(=O)O6)C)C)(C)C
- InChI
- InChI=1S/C30H44O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-17-25(3,4)19(31)9-10-26(17,5)21(27)20-22(33-20)30(28,18(29)16-24)34-23(29)32/h17-18,20-22H,8-16H2,1-7H3/t17?,18?,20?,21?,22?,26-,27+,28?,29-,30+/m0/s1