A1MEK
Summary
| Name: | [(1~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]methyl dihydrogen phosphate |
| Formula: | C15 H27 O4 P |
| Formal charge: | 0 |
| Formula weight: | 302.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H27O4P/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-19-20(16,17)18/h12-13H,1,5-10H2,2-4H3,(H2,16,17,18)/t12-,13-,15+/m0/s1 |
| InChIKey | InChI | 1.06 | NBMDYDWUDDZIFV-KCQAQPDRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CCC[C@]2(C)[C@@H](CO[P](O)(O)=O)C(=C)CC[C@@H]12 |
| SMILES | CACTVS | 3.385 | CC1(C)CCC[C]2(C)[CH](CO[P](O)(O)=O)C(=C)CC[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2COP(=O)(O)O)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCCC2(C1CCC(=C)C2COP(=O)(O)O)C)C |
