기본 정보
- CAS
10012-73-4- 표준 SMILES
CC=C1CN2CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)OC)[C@H]1CC2- InChIKey
MBXJCHZRHROMQA-UWJYYQICSA-N- 분자식
- C21H26N2O3
- 평균 분자량
- 354.4 g/mol
- 단동위원소 질량
- 354.1943427
개요
CID 443367 has been reported in Rauvolfia serpentina, Tabernaemontana cymosa, and other organisms with data available.
이름 및 식별자
- 우선 이름
- methyl (1S,2S)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate
- IUPAC
- methyl (1S,2S)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate
- 현지명
- 줄기
- 영어명
- stemmadenine
- 분자식
- C21H26N2O3
- 분자량
- 354.44
이름 및 동의어
10012-73-4DTXSID70905215Methyl (6S,7S)-5-ethylidene-7-(hydroxymethyl)-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylateMethyl 5-ethylidene-7-(hydroxymethyl)-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate줄기stemmadenine15-epi-Stemmadenine(19E)-2,7,19,20-Tetradehydro-17-hydroxy-3,7-secocuran-16-carboxylic acid methyl ester(15β,19E)-2,7,19,20-Tetradehydro-17-hydroxy-3,7-secocuran-16-carboxylic acid methyl ester1H-3,6-Ethanoazonino[5,4-b]indole-7-carboxylic acid, 5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-, methyl ester, (3S,5E,6S,7S)-
데이터베이스 식별자
- CAS
10012-73-4- PubChem CID
- 443367
- DTXSID
DTXSID70905215
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 65.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 578
물리화학적 성질
- 녹는점
- 189 · 189-193°C
- 끓는 점
- 518.5 · 518.5±50.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.81 · 14.81±0.10(Predicted)
화학 및 산업
응용 분야
개요First isolated from various species of Stemmadenia, this alkaloid has subsequently been found in DipZorrhynchus rondyZocarpon subsp. mossambiensis Benth. and MeZodinus australis. The following specific rotations have been reported; [α]19D + 310° (c 0.527, pyridine), [α]20D~O + 329° (pyridine) and [α]25D~S + 324° (pyridine). The alkaloid gives an ultraviolet spectrum exhibiting absorption maxima at 227, 284 and 292 m/J. with shoulders at 275 and 305 m/J.. One nitrogen atom is tertiary, the other being part of the indole ring. The solution in concentrated HN03 is a bright yellow.
공급사5 곳
云南西力生物技术股份有限公司0871-65217109 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海研易宝医药科技有限公司13661744693 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
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