STR
Summary
Name: | PROGESTERONE |
Formula: | C21 H30 O2 |
Formal charge: | 0 |
Formula weight: | 314.462 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (14beta,17alpha)-pregn-4-ene-3,20-dione |
OpenEye OEToolkits | 1.5.0 | (8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C4C=C2C(C1CCC3(C(C(=O)C)CCC3C1CC2)C)(C)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
SMILES | CACTVS | 3.341 | CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
InChI | InChI | 1.03 | InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 |
InChIKey | InChI | 1.03 | RJKFOVLPORLFTN-LEKSSAKUSA-N |