VQW
Summary
| Name: | [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate |
| Formula: | C20 H33 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 383.545 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H33NO4S/c1-12-10-17(22)20(3)9-7-16-15(18(12)20)5-4-13-11-14(25-26(21,23)24)6-8-19(13,16)2/h12-16,18H,4-11H2,1-3H3,(H2,21,23,24)/t12-,13-,14-,15-,16+,18+,19+,20-/m1/s1 |
| InChIKey | InChI | 1.06 | DFYROWLUBVOBKY-VXQQXVLUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](CC[C@]34C)O[S](N)(=O)=O)[C@H]12 |
| SMILES | CACTVS | 3.385 | C[CH]1CC(=O)[C]2(C)CC[CH]3[CH](CC[CH]4C[CH](CC[C]34C)O[S](N)(=O)=O)[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC(=O)[C@@]2([C@@H]1[C@@H]3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3CC2)C)OS(=O)(=O)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(=O)C2(C1C3CCC4CC(CCC4(C3CC2)C)OS(=O)(=O)N)C |
