813
Summary
| Name: | (1~{S},3~{R},11~{R},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-4,7,9,14,18-pentaen-6-one |
| Formula: | C24 H32 O4 |
| Formal charge: | 0 |
| Formula weight: | 384.508 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},11~{S},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-3(9),4,7,14,18-pentaen-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H32O4/c1-15-7-10-23(3,4)8-6-9-24(5)17(13-19(15)25)12-18-16(2)11-20(26)21(27)14-22(18)28-24/h6-8,11,14,17,19,25H,9-10,12-13H2,1-5H3,(H,26,27)/b8-6+,15-7-/t17-,19-,24-/m0/s1 |
| InChIKey | InChI | 1.03 | REJAHZFROGUZPE-OVLCLZAISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC/1=C/CC(C)(C)\C=C\C[C@]2(C)OC3=C(C[C@H]2C[C@@H]/1O)C(=CC(=O)C(=C3)O)C |
| SMILES | CACTVS | 3.385 | CC1=CCC(C)(C)C=CC[C]2(C)OC3=C(C[CH]2C[CH]1O)C(=CC(=O)C(=C3)O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C/1=C/CC(/C=C/C[C@]2([C@H](C[C@@H]1O)CC3=C(O2)C=C(C(=O)C=C3C)O)C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CCC(C=CCC2(C(CC1O)CC3=C(O2)C=C(C(=O)C=C3C)O)C)(C)C |
