기본 정보
- CAS
60394-92-5- 표준 SMILES
O=c1cccc([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)[nH]1- InChIKey
JAUFYQKXSPWZRV-YRGRVCCFSA-N- 분자식
- C15H22N2O2
- 평균 분자량
- 262.35 g/mol
- 단동위원소 질량
- 262.16812795
개요
Mamanine has been reported in Sophora chrysophylla and Sophora flavescens with data available.
이름 및 식별자
- 우선 이름
- Mamanine
- IUPAC
- 6-[(1S,3R,9aR)-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one
- 현지명
- 마마닌
- 영어명
- mamanine
- 분자식
- C15H22N2O2
- 분자량
- 262.35
이름 및 동의어
MAMANINE60394-92-5DTXSID902091466-[(1S,3R,9aR)-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one6-((1S,3R,9aR)-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)-1H-pyridin-2-oneRefChem:155534DTXCID101316372(1H)-Pyridinone, 6-(octahydro-1-(hydroxymethyl)-2H-quinolizin-3-yl)-, (1alpha,3alpha,9aalpha)-(+)-SCHEMBL563305orb1696189AKOS040752921T33170
이름 더 보기
마마닌6-[(1S,9aβ)-Octahydro-1β-(hydroxymethyl)-2H-quinolizine-3β-yl]pyridine-2(1H)-one2(1H)-Pyridinone, 6-[(1R,3S,9aS)-octahydro-1-(hydroxymethyl)-2H-quinolizin-3-yl]-, rel-(+)-
6-[(1S,3R,9aR)-1-(Hydroxymethyl)octahydro-2H-quinolizin-3-yl]pyridin-2(1H)-one
데이터베이스 식별자
- CAS
60394-92-5
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 416
물리화학적 성질
- 녹는점
- 17 l-2°C · 17l-2°C
- 끓는 점
- 483.273 · 483.273±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.211 · 1.211±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 11.565 · 11.565±0.10(predicted)
화학 및 산업
응용 분야
개요This novel alkaloid occurs in the bark of Sophora chrysophylla and is obtained in the form of colourless crystals of the dihydrate which have the above melting point after prior melting at 100-4°C followed by resolidification. The base has been characterized as the crystalline cyclohexylsulphonate, m.p. 245-252°C and the diacetate which forms colourless needles that decompose on standing at room temperature. The free base is optically active with a specific rotation of [α]24.3/sup>D + 31.7° (c 2.32, EtOH). Mamaine is an intermediate in a previously unknown biogenetic pathway of the Sophora alkaloids (cf. Pohakuline).
공급사1 곳
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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