SJA
Summary
| Name: | Amorphadiene |
| Synonyms: | (1~{R},4~{R},4~{a}~{S},8~{a}~{R})-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4~{a},5,6,8~{a}-octahydronaphthalene |
| Formula: | C15 H24 |
| Formal charge: | 0 |
| Formula weight: | 204.351 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},4~{R},4~{a}~{S},8~{a}~{R})-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4~{a},5,6,8~{a}-octahydronaphthalene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1 |
| InChIKey | InChI | 1.03 | HMTAHNDPLDKYJT-CBBWQLFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(C)=C |
| SMILES | CACTVS | 3.385 | C[CH]1CC[CH]([CH]2C=C(C)CC[CH]12)C(C)=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC(C2C1CCC(=C2)C)C(=C)C |
