S-(9a,11a-dimethyl-5',7-dioxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-4-yl) ethanethioate
Chemical Structure Depiction of
S-(9a,11a-dimethyl-5',7-dioxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-4-yl) ethanethioate
S-(9a,11a-dimethyl-5',7-dioxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-4-yl) ethanethioate
Compound characteristics
| Compound ID: | 8010-7270 |
| Compound Name: | S-(9a,11a-dimethyl-5',7-dioxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-4-yl) ethanethioate |
| Molecular Weight: | 416.58 |
| Molecular Formula: | C24 H32 O4 S |
| Smiles: | CC(=O)SC1CC2=CC(CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7051 |
| logD: | 2.7051 |
| logSw: | -4.2321 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.387 |
| InChI Key: | LXMSZDCAJNLERA-UHFFFAOYSA-N |