Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
methyl (1R,12R,19S)-12-ethyl-14-[(1R,12R,15S,19S)-12-ethyl-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaen-15-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Voafrine B · [7,8'-Biaspidospermidine]-3,3'-dicarboxylic acid, 2,2',3,3',6,6',7,7'-octadehydro-, 3,3'-dimethyl ester, (5α,12R,19α)-(5'α,8'α,12'R,19'α)-
![methyl (1R,12R,19S)-12-ethyl-14-[(1R,12R,15S,19S)-12-ethyl-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaen-15-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate 분자 구조식](/img/chemical/178782883.png)
식별자 및 물리적 특성
| CAS No. | 88824-28-6 |
|---|---|
| 분자식 | C42H46N4O4 |
| 평균 분자량 | 670.8 g/mol |
| SMILES | CC[C@]12C=C([C@@H]3C=C[C@@]4(CC)CC(C(=O)OC)=C5Nc6ccccc6[C@@]56CCN3[C@@H]46)CN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 |
| InChIKey | UAMRAMXGKGINMS-MRKSVKKXSA-N |
화학 및 물리적 성질
| XLogP | 6.1 |
|---|---|
| 극성 표면적 | 83.1 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 50 |
| 형식 전하 | 0 |
| 복잡도 | 1,650 |