Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
methyl (4S,8S,9S)-8,11-dimethyl-2-oxo-7-oxa-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),5,15,17,19-pentaene-5-carboxylate
Picraphylline · (4S,4aS,15aS)-4,4a,5,6,7,8,13,14,15,15a-Decahydro-4,6-dimethyl-14-oxopyrano[4',3':8,9]azecino[5,4-b]indole-1-carboxylic acid methyl ester · Pyrano[4',3':8,9]azecino[5,4-b]indole-1-carboxylic acid, 4,4a,5,6,7,8,13,14,15,15a-decahydro-4,6-dimethyl-14-oxo-, methyl ester, (4S,4aS,15aS)- (9CI)
![methyl (4S,8S,9S)-8,11-dimethyl-2-oxo-7-oxa-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),5,15,17,19-pentaene-5-carboxylate 분자 구조식](/img/chemical/178782822.png)
식별자 및 물리적 특성
| CAS No. | 2447-72-5 |
|---|---|
| 분자식 | C22H26N2O4 |
| 평균 분자량 | 382.5 g/mol |
| SMILES | COC(=O)C1=CO[C@@H](C)[C@@H]2CN(C)CCc3c([nH]c4ccccc34)C(=O)C[C@H]12 |
| InChIKey | RODCMQNDIKIJPO-JQFCIGGWSA-N |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 71.6 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 28 |
| 형식 전하 | 0 |
| 복잡도 | 648 |
| 녹는점 | 255°C |
| 끓는 점 | 559.9±50.0 °C(Predicted) |
| 밀도 | 1.198±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 15.10±0.60(Predicted) |
용도
개요
Isolated from the flowers of Picralima nitida Stapf., this base has [α]20D - 37° (CHCI3) and gives an ultraviolet spectrum in EtOH with absorption maxima at 238 and 313 mil. The structure has been elucidated by spectroscopic methods.