TERT-BUTYL 2-{[5A,5B,8,8,11A-PENTAMETHYL-9-OXO-1-(PROP-1-EN-2-YL)-ICOSAHYDRO-1H-CYCLOPENTA[A]CHRYSEN-3A-YL]FORMAMIDO}-3-METHYLPENTANOATE
Chemical Structure Depiction of
TERT-BUTYL 2-{[5A,5B,8,8,11A-PENTAMETHYL-9-OXO-1-(PROP-1-EN-2-YL)-ICOSAHYDRO-1H-CYCLOPENTA[A]CHRYSEN-3A-YL]FORMAMIDO}-3-METHYLPENTANOATE
TERT-BUTYL 2-{[5A,5B,8,8,11A-PENTAMETHYL-9-OXO-1-(PROP-1-EN-2-YL)-ICOSAHYDRO-1H-CYCLOPENTA[A]CHRYSEN-3A-YL]FORMAMIDO}-3-METHYLPENTANOATE
Compound characteristics
| Compound ID: | N064-0052 |
| Compound Name: | TERT-BUTYL 2-{[5A,5B,8,8,11A-PENTAMETHYL-9-OXO-1-(PROP-1-EN-2-YL)-ICOSAHYDRO-1H-CYCLOPENTA[A]CHRYSEN-3A-YL]FORMAMIDO}-3-METHYLPENTANOATE |
| Molecular Weight: | 623.96 |
| Molecular Formula: | C40 H65 N O4 |
| Smiles: | CCC(C)C(C(=O)OC(C)(C)C)NC(C12CC[C@H](C2C2CCC3[C@@]4(C)CCC([C@](C)(C)C4CC[C@@]3(C)[C@]2(C)CC1)=O)C(C)=C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.4686 |
| logD: | 9.4686 |
| logSw: | -5.9451 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.627 |
| InChI Key: | RJXRKUDWSQBMTQ-VTXPUQNVSA-N |