J6C
Summary
| Name: | Miltiradiene |
| Synonyms: | (4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8a,9,10-octahydrophenanthrene |
| Formula: | C20 H32 |
| Formal charge: | 0 |
| Formula weight: | 272.468 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{b}~{S},8~{a}~{S})-4~{b},8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8~{a},9,10-octahydrophenanthrene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | BGVUIJDZTQIJIO-AZUAARDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=CCC2=C(CC[C@H]3C(C)(C)CCC[C@]23C)C1 |
| SMILES | CACTVS | 3.385 | CC(C)C1=CCC2=C(CC[CH]3C(C)(C)CCC[C]23C)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C1=CCC2=C(C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1=CCC2=C(C1)CCC3C2(CCCC3(C)C)C |
