기본 정보
- CAS
573-73-9- 표준 SMILES
COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(OC)c(O)cc3C[C@H]3c4cc(O)c(OC)cc4CCN3C)cc1)N(C)CC2- InChIKey
LKMRSUDECASAKX-KYJUHHDHSA-N- 분자식
- C37H42N2O7
- 평균 분자량
- 626.7 g/mol
이름 및 식별자
- 우선 이름
- CID 90473566
- IUPAC
- (1S)-1-[[4-[4-hydroxy-2-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-5-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
- 현지명
- 마그놀라민
- 영어명
- magnolamine
- 분자식
- C37H42N2O7
- 분자량
- 626.74
이름 및 동의어
magnolamine573-73-9(1S)-1-[[4-[4-hydroxy-2-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-5-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol마그놀라민(1S)-1,2,3,4-Tetrahydro-1-[[4-[4-hydroxy-5-methoxy-2-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methylisoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methylisoquinolin-7-ol7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-[4-hydroxy-5-methoxy-2-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, (1S)-
데이터베이스 식별자
- CAS
573-73-9- Nikkaji
- J13.199G
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 951
물리화학적 성질
- 녹는점
- 117 · 117-9°C
- 끓는 점
- 768 · 768.0±60.0 °C(Predicted)
- 밀도
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.12 · 10.12±0.25(Predicted)
화학 및 산업
응용 분야
개요This bisbenzylisoquinoline alkaloid is found in the benzene-soluble portion of the total alkaloids extracted from Magnolia fuscata. When recrystallized from C6H6 it yields fine, colourless needles, soluble in alkalies, CHC13 and EtOH. It is dextrorotatory with [α]D + 111.6° and yields a crystalline picrate, m.p. 142- SoC (dec.); a picrolonate, m.p. 163-4°C and a tetramethyl ether, m.p. lSI-2°C. The latter may be oxidized by KMn04 in Me2CO to give 1-keto-6:7-dimethoxy- 2-methyltetrahydroisoquinoline, m.p. 124-5°C and magnolaminic acid, C16H1407, m.p. 280-loC. The alkaloid acts as a cardiac depressant at between 10 to 500 parts per million.
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