(7R,8S,9S,15S,16R)-16-[(2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
(7R,8S,9S,15S,16R)-16-[(2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one · CAS 98813-13-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (7R,8S,9S,15S,16R)-16-[(2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
- CAS
- 98813-13-9
- CID
- 127157
- IUPAC 名称
- (7R,8S,9S,15S,16R)-16-[(2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (7R,8S,9S,15S,16R)-16-[(2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
- CAS
- 98813-13-9
- CID
- 127157
- IUPAC 名称
- (7R,8S,9S,15S,16R)-16-[(2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
分子属性
- 分子式
- C35H56O8
- 分子量
- 604.8 g/mol
- 精确质量
- 604.39751874 Da
- 单同位素质量
- 604.39751874 Da
- XLogP
- 5.8
- 极性表面积
- 123 Ų
- 氢键供体
- 3
- 氢键受体
- 8
- 可旋转键
- 10
- 重原子数
- 43
- 净电荷
- 0
- 结构复杂度
- 1050
结构标识
- InChIKey
- ZKOTUWJMGBWBEO-NTKKXMPNSA-N
- SMILES
- C[C@H]1CC(=CC=C[C@@H]([C@H](OC(=O)C(=CC(=C[C@H]([C@H]1O)C)C)OC)[C@@H](C)[C@H]([C@H](C)C(=O)C=C[C@H](C)[C@@H](C(C)C)O)O)OC)C
- InChI
- InChI=1S/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/t23-,24-,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1