A1IV5
Summary
| Name: | (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol |
| Formula: | C19 H26 O2 |
| Formal charge: | 0 |
| Formula weight: | 286.409 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (8~{R},9~{S},13~{S},14~{S},17~{S})-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1 |
| InChIKey | InChI | 1.06 | ULAADVBNYHGIBP-GFEQUFNTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3CCc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCC3c4ccc(cc4CCC3C1CCC2O)OC |
