ZS9
Summary
| Name: | dehydrocostus lactone, bound form |
| Formula: | C15 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 232.318 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one |
| OpenEye OEToolkits | 2.0.7 | (3~{S},3~{a}~{R},6~{a}~{R},9~{a}~{R},9~{b}~{R})-3-methyl-6,9-dimethylidene-3~{a},4,5,6~{a},7,8,9~{a},9~{b}-octahydro-3~{H}-azuleno[4,5-b]furan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C |
| InChI | InChI | 1.06 | InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | UJADCNYXDHHISU-PDWCTOEPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1[C@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@@H]2OC1=O |
| SMILES | CACTVS | 3.385 | C[CH]1[CH]2CCC(=C)[CH]3CCC(=C)[CH]3[CH]2OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@@H]2OC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O |
