기본 정보
- CAS
522-47-4- 표준 SMILES
C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3[nH]c2ccc(OC)cc12- InChIKey
YTIVOMMYBBBYFH-BOPWJTLDSA-N- 분자식
- C20H24N2O2
- 평균 분자량
- 324.4 g/mol
- 단동위원소 질량
- 324.18377801
개요
[(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]methanol has been reported in Rauvolfia biauriculata, Rauvolfia sprucei, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Lochnerine
- IUPAC
- [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol
- 영어명
- LOCHNERINE
- 분자식
- C20H24N2O2
- 분자량
- 324.42
이름 및 동의어
Lochnerine(+)-Lochnerine522-47-4Sarpagan-17-ol, 10-methoxy-[(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol((1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo(12.3.1.02,10.04,9.012,17)octadeca-2(10),4(9),5,7-tetraen-13-yl)methanolRefChem:153912YTIVOMMYBBBYFH-JYOAFUTRSA-NCHEMBL484153DTXSID601318507HY-N3374BDBM50480330
이름 더 보기
LochenerineLuo Ke alkali(+)-Lochenerine10-O-Methylsarpagine10-Methoxynormacusine B10-Methoxysarpagan-17-ol6,10-Methanoindolo[3,2-b]quinolizine-11-methanol,9-ethylidene-5,6,8,9,10,11,11a,12-octahydro-2-methoxy-,(6S,7R,9E,10R,11R,11aS)-
AKOS040744703(4R,19E)-10-Methoxysarpagan-17-ol[(E)-ethylidene(methoxy)[?]yl]methanolCS-0024033
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 48.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 536
물리화학적 성질
- 녹는점
- 202.5 · 202.5-203.5°C
- 끓는 점
- 503.817 · 503.817±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.307 · 1.307±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 14.762 · 14.762±0.10(predicted)
화학 및 산업
응용 분야
개요This carboline alkaloid has been obtained from Lochnera rosea and is also present in curare (Strychnos toxifera). Early preparations have been designated Alkaloid 'C' and C-Alkaloid T. It has [α]D + 56° (pyridine) or + n° (EtOH) and forms a crystalline picrate with a double melting point of 177-9°C and 243-5°C (dec.). The methiodide is identical with lochneram iodide, m.p. 235-8°C. A characteristic p-toluenesulphonyl derivative has been prepared, m.p. 153-4°C. One primary alcoholic hydroxyl is present and the alkaloid yields the O-acetate as colourless needles, m.p. 243°C; [α]D - 5.6° ± 3.0° (c 0.36, pyridine). The structure is that of O-methylsarpagine.
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