V7N
概要
| 表記: | (2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid |
| 組成式: | C41 H54 O4 |
| 電荷: | 0 |
| 化学式量: | 610.865 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | (2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C41H54O4/c1-33(20-12-21-35(3)22-13-23-36(4)24-14-28-38(6)40(43)44)18-10-11-19-34(2)25-15-29-39(32-42)30-16-26-37(5)27-17-31-41(7,8)45-9/h10-12,14-21,23-30,32H,13,22,31H2,1-9H3,(H,43,44)/b11-10+,20-12+,24-14+,25-15+,27-17+,30-16+,33-18+,34-19+,35-21+,36-23+,37-26+,38-28+,39-29- |
| InChIKey | InChI | 1.03 | XLPMAXZHNMJTID-YBNWOPDJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(C)(C)C/C=C/C(C)=C/C=C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/CC/C=C(C)/C=C/C=C(C)/C(O)=O |
| SMILES | CACTVS | 3.385 | COC(C)(C)CC=CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C=CC=C(C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C=C(/C)\C=C\CC(C)(C)OC)/C=O)\C)/CC/C=C(\C)/C=C/C=C(\C)/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CC=CC(=CC=CC=C(C)C=CC=C(C=CC=C(C)C=CCC(C)(C)OC)C=O)C)CCC=C(C)C=CC=C(C)C(=O)O |
