A1MBP
Summary
| Name: | (3~{a}~{R},6~{a}~{S},9~{a}~{R},9~{b}~{S})-3,6,9-trimethylidene-3~{a},4,5,6~{a},7,8,9~{a},9~{b}-octahydroazuleno[4,5-b]furan-2-one |
| Formula: | C15 H18 O2 |
| Formal charge: | 0 |
| Formula weight: | 230.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{a}~{R},6~{a}~{S},9~{a}~{R},9~{b}~{S})-3,6,9-trimethylidene-3~{a},4,5,6~{a},7,8,9~{a},9~{b}-octahydroazuleno[4,5-b]furan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13+,14+/m1/s1 |
| InChIKey | InChI | 1.06 | NETSQGRTUNRXEO-MQYQWHSLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=C1CC[C@H]2[C@H](OC(=O)C2=C)[C@@H]3[C@@H]1CCC3=C |
| SMILES | CACTVS | 3.385 | C=C1CC[CH]2[CH](OC(=O)C2=C)[CH]3[CH]1CCC3=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=C1CC[C@H]2[C@@H]([C@@H]3[C@@H]1CCC3=C)OC(=O)C2=C |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C |
