A1LYT
Summary
| Name: | (5R)-5-methyl-5-[[(1R,2R,5R)-2-methyl-5-[(2R)-1-oxidanylidenepropan-2-yl]cyclopentyl]methyl]-2-propan-2-yl-cyclopenta-1,3-diene-1-carboxylic acid |
| Formula: | C20 H30 O3 |
| Formal charge: | 0 |
| Formula weight: | 318.45 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-5-methyl-5-[[(1~{R},2~{R},5~{R})-2-methyl-5-[(2~{R})-1-oxidanylidenepropan-2-yl]cyclopentyl]methyl]-2-propan-2-yl-cyclopenta-1,3-diene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H30O3/c1-12(2)15-8-9-20(5,18(15)19(22)23)10-17-13(3)6-7-16(17)14(4)11-21/h8-9,11-14,16-17H,6-7,10H2,1-5H3,(H,22,23)/t13-,14+,16-,17-,20+/m1/s1 |
| InChIKey | InChI | 1.06 | VQPPHPCZHCLABH-AENLNBOZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=C(C(O)=O)[C@](C)(C[C@@H]2[C@H](C)CC[C@@H]2[C@@H](C)C=O)C=C1 |
| SMILES | CACTVS | 3.385 | CC(C)C1=C(C(O)=O)[C](C)(C[CH]2[CH](C)CC[CH]2[CH](C)C=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC[C@H]([C@@H]1C[C@@]2(C=CC(=C2C(=O)O)C(C)C)C)[C@@H](C)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC(C1CC2(C=CC(=C2C(=O)O)C(C)C)C)C(C)C=O |
