VR3
Summary
| Name: | [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate |
| Formula: | C19 H31 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 353.519 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H31NO3S/c1-18-9-3-4-16(18)15-6-5-13-12-14(23-24(20,21)22)7-11-19(13,2)17(15)8-10-18/h5,14-17H,3-4,6-12H2,1-2H3,(H2,20,21,22)/t14-,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | InChI | 1.06 | YUEPLWPAJBAOGC-DYKIIFRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]12CCC[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC2)O[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | C[C]12CCC[CH]1[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC2)O[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]12CCC[C@H]1[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC2)C)OS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCCC1C3CC=C4CC(CCC4(C3CC2)C)OS(=O)(=O)N |
