A1LU1
Summary
| Name: | Metenolone |
| Synonyms: | DB13710 |
| Formula: | C20 H30 O2 |
| Formal charge: | 0 |
| Formula weight: | 302.451 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-1,10,13-trimethyl-17-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1 |
| InChIKey | InChI | 1.06 | ANJQEDFWRSLVBR-VHUDCFPWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)C[CH]2CC[CH]3[CH]4CC[CH](O)[C]4(C)CC[CH]3[C]12C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4O)C)C |
