ATE
Summary
| Name: | 16,17-ANDROSTENE-3-OL |
| Formula: | C19 H30 O |
| Formal charge: | 0 |
| Formula weight: | 274.441 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3beta,5alpha)-androst-16-en-3-ol |
| OpenEye OEToolkits | 1.5.0 | (3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC4CCC3(C2C(C1C(C=CC1)(CC2)C)CCC3C4)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2 |
| SMILES | CACTVS | 3.341 | C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CC=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCC3C(C1CC=C2)CCC4C3(CCC(C4)O)C |
| InChI | InChI | 1.03 | InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | KRVXMNNRSSQZJP-PHFHYRSDSA-N |
