A1I30
Summary
| Name: | methyl 2-[(2~{S})-3-oxidanyl-4-[(4~{S})-4-oxidanylhexanoyl]-5-oxidanylidene-2~{H}-furan-2-yl]ethanoate |
| Formula: | C13 H18 O7 |
| Formal charge: | 0 |
| Formula weight: | 286.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[(2~{S})-3-oxidanyl-4-[(4~{S})-4-oxidanylhexanoyl]-5-oxidanylidene-2~{H}-furan-2-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H18O7/c1-3-7(14)4-5-8(15)11-12(17)9(20-13(11)18)6-10(16)19-2/h7,9,14,17H,3-6H2,1-2H3/t7-,9?/m0/s1 |
| InChIKey | InChI | 1.06 | BVYHCZYOLBHTEM-JAVCKPHESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](O)CCC(=O)C1=C(O)[C@H](CC(=O)OC)OC1=O |
| SMILES | CACTVS | 3.385 | CC[CH](O)CCC(=O)C1=C(O)[CH](CC(=O)OC)OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](CCC(=O)C1=C([C@@H](OC1=O)CC(=O)OC)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CCC(=O)C1=C(C(OC1=O)CC(=O)OC)O)O |
