ethyl (2RS,4aSR,6aRS,6bSR,9aRS)-2-(acetyloxy)-6b-{(1Z)-1-[2-(ethoxycarbonyl)hydrazinylidene]ethyl}-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1- d][1,2]oxazole-9-carboxylate
Chemical Structure Depiction of
ethyl (2RS,4aSR,6aRS,6bSR,9aRS)-2-(acetyloxy)-6b-{(1Z)-1-[2-(ethoxycarbonyl)hydrazinylidene]ethyl}-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1- d][1,2]oxazole-9-carboxylate
ethyl (2RS,4aSR,6aRS,6bSR,9aRS)-2-(acetyloxy)-6b-{(1Z)-1-[2-(ethoxycarbonyl)hydrazinylidene]ethyl}-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1- d][1,2]oxazole-9-carboxylate
Compound characteristics
| Compound ID: | 8007-8849 |
| Compound Name: | ethyl (2RS,4aSR,6aRS,6bSR,9aRS)-2-(acetyloxy)-6b-{(1Z)-1-[2-(ethoxycarbonyl)hydrazinylidene]ethyl}-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1- d][1,2]oxazole-9-carboxylate |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C30 H43 N3 O7 |
| Smiles: | CCOC(C1[C@@H]2CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)[C@]2(C(\C)=N/NC(=O)OCC)ON=1)OC(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8628 |
| logD: | 4.8619 |
| logSw: | -4.9738 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.594 |
| InChI Key: | IJKPEDMDYLWPMU-CXIGLBHMSA-N |