9FU
概要
| 表記: | (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione |
| 別名: | Preandiloid C |
| 組成式: | C25 H30 O5 |
| 電荷: | 0 |
| 化学式量: | 410.503 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C1(=O)C=CC2(C(C1(C)C)CCC5(C)C2CC4(C3=C(C(OC3)=O)C(C(=C4O5)C)=O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C25H30O5/c1-13-19(27)18-14(12-29-21(18)28)24(5)11-16-23(4)9-8-17(26)22(2,3)15(23)7-10-25(16,6)30-20(13)24/h8-9,15-16H,7,10-12H2,1-6H3/t15-,16+,23-,24+,25-/m0/s1 |
| InChIKey | InChI | 1.03 | ZKKBNTCAKNMLLQ-MZTDULQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C2O[C@@]3(C)CC[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H]3C[C@]2(C)C5=C(C(=O)OC5)C1=O |
| SMILES | CACTVS | 3.385 | CC1=C2O[C]3(C)CC[CH]4C(C)(C)C(=O)C=C[C]4(C)[CH]3C[C]2(C)C5=C(C(=O)OC5)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=C2C(CC3C(O2)(CCC4C3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C |
