Q6J
Summary
Name: | 5alpha-dihydronandrolone |
Synonyms: | (5beta,9beta,10alpha,13alpha,14beta,17beta)-17-hydroxyestran-3-one |
Formula: | C18 H28 O2 |
Formal charge: | 0 |
Formula weight: | 276.414 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (5beta,9beta,10alpha,13alpha,14beta,17beta)-17-hydroxyestran-3-one |
OpenEye OEToolkits | 2.0.7 | (5~{S},8~{R},9~{R},10~{S},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2(=O)CC1CCC3C(C1CC2)CCC4(C3CCC4O)C |
InChI | InChI | 1.03 | InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13-,14+,15+,16-,17-,18-/m0/s1 |
InChIKey | InChI | 1.03 | RHVBIEJVJWNXBU-PNOKGRBDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CC[C@@H]3[C@H]4CCC(=O)C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2O |
SMILES | CACTVS | 3.385 | C[C]12CC[CH]3[CH]4CCC(=O)C[CH]4CC[CH]3[CH]1CC[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCC3C(C1CCC2O)CCC4C3CCC(=O)C4 |