methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate · CAS 95258-17-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
- CAS
- 95258-17-6
- CID
- 72960
- IUPAC 名称
- methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
- CAS
- 95258-17-6
- CID
- 72960
- IUPAC 名称
- methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
分子属性
- 分子式
- C36H48O18
- 分子量
- 768.8 g/mol
- 精确质量
- 768.28406468 Da
- 单同位素质量
- 768.28406468 Da
- XLogP
- 0.1
- 极性表面积
- 271 Ų
- 氢键供体
- 6
- 氢键受体
- 18
- 可旋转键
- 11
- 重原子数
- 54
- 净电荷
- 0
- 结构复杂度
- 1650
结构标识
- InChIKey
- YNYBTCKMNHXXGZ-UFZOBSKKSA-N
- SMILES
- C[C@H]1[C@@H]2C[C@@H]3[C@@]45COC([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC
- InChI
- InChI=1S/C36H48O18/c1-13(33(4,5)54-15(3)38)8-20(39)53-26-28-35-12-49-36(28,32(47)48-7)29(45)25(44)27(35)34(6)10-17(21(40)14(2)16(34)9-19(35)52-30(26)46)50-31-24(43)23(42)22(41)18(11-37)51-31/h8,10,14,16,18-19,22-29,31,37,41-45H,9,11-12H2,1-7H3/t14-,16-,18+,19+,22+,23-,24+,25+,26+,27+,28+,29-,31+,34-,35+,36?/m0/s1