5-(TERT-BUTYL) 1-{2-[(6S,10R,13R,17R)-12,17-DIHYDROXY-6,10,13-TRIMETHYL-3-OXO-6,7,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-17-YL]-2-OXOETHYL} 2-[(TERT-BUTOXYCARBONYL)AMINO]P ENTANEDIOATE
Chemical Structure Depiction of
5-(TERT-BUTYL) 1-{2-[(6S,10R,13R,17R)-12,17-DIHYDROXY-6,10,13-TRIMETHYL-3-OXO-6,7,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-17-YL]-2-OXOETHYL} 2-[(TERT-BUTOXYCARBONYL)AMINO]P ENTANEDIOATE
5-(TERT-BUTYL) 1-{2-[(6S,10R,13R,17R)-12,17-DIHYDROXY-6,10,13-TRIMETHYL-3-OXO-6,7,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-17-YL]-2-OXOETHYL} 2-[(TERT-BUTOXYCARBONYL)AMINO]P ENTANEDIOATE
Compound characteristics
| Compound ID: | 8005-2479 |
| Compound Name: | 5-(TERT-BUTYL) 1-{2-[(6S,10R,13R,17R)-12,17-DIHYDROXY-6,10,13-TRIMETHYL-3-OXO-6,7,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-17-YL]-2-OXOETHYL} 2-[(TERT-BUTOXYCARBONYL)AMINO]P ENTANEDIOATE |
| Molecular Weight: | 659.82 |
| Molecular Formula: | C36 H53 N O10 |
| Smiles: | C[C@H]1CC2C(CC([C@@]3(C)C2CC[C@@]3(C(COC(C(CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)=O)=O)O)O)[C@@]2(C)C=CC(C=C12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6166 |
| logD: | 4.6166 |
| logSw: | -4.5718 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 129.673 |
| InChI Key: | YRXYASPDLJHFSQ-YYUUPFOESA-N |