RB3
Summary
| Name: | (1R)-3-{[(1R)-3-METHOXY-1-METHYL-3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-3-HYDROXYBUTANOATE |
| Synonyms: | METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE |
| Formula: | C13 H22 O7 |
| Formal charge: | 0 |
| Formula weight: | 290.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R)-3-{[(1R)-3-methoxy-1-methyl-3-oxopropyl]oxy}-1-methyl-3-oxopropyl (3R)-3-hydroxybutanoate |
| OpenEye OEToolkits | 1.5.0 | methyl (3R)-3-[(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoyl]oxybutanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC(C)CC(=O)OC(CC(=O)OC)C)CC(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)C[C@@H](C)OC(=O)C[C@@H](C)OC(=O)C[C@@H](C)O |
| SMILES | CACTVS | 3.341 | COC(=O)C[CH](C)OC(=O)C[CH](C)OC(=O)C[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)OC)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC)O |
| InChI | InChI | 1.03 | InChI=1S/C13H22O7/c1-8(14)5-12(16)19-10(3)7-13(17)20-9(2)6-11(15)18-4/h8-10,14H,5-7H2,1-4H3/t8-,9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | WGAHBMKAEWUQKL-OPRDCNLKSA-N |
