(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolin-22-ol
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기본 정보
- CAS
10172-03-9- 표준 SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN(C)[C@@H]4C2)CCN1C- InChIKey
YJRWQNIRFXVBRB-WDYNHAJCSA-N- 분자식
- C37H40N2O6
- 평균 분자량
- 608.7 g/mol
개요
Homoaromoline has been reported in Thalictrum foliolosum, Stephania cephalantha, and other organisms with data available.
이름 및 식별자
- 우선 이름
- (4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolin-22-ol
- IUPAC
- (1R,14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
- 영어명
- [1R,(+)]-6,6',12'-Trimethoxy-2,2'-dimethyloxyacanthan-7-ol
- 분자식
- C37H40N2O6
- 분자량
- 608.72
이름 및 동의어
Homoaromoline17132-74-0DTXSID90169059(1R,14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol(1R,14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo(22.6.2.29,12.13,7.114,18.027,31.022,33)hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolin-22-olRefChem:1050457DTXCID6091550(+)-Homoaromoline6,6',12'-Trimethoxy-2,2'-dimethyloxyacanthan-7-olCHEMBL509855
이름 더 보기
Limacusine
물성
구조 계산 물성보충 중
- XLogP
- 6.3
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 963
물리화학적 성질
- 녹는점
- 235 · 235-7°C
- 끓는 점
- 709.7 · 709.7±60.0 °C(Predicted)
- 밀도
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.38 · 9.38±0.20(Predicted)
화학 및 산업
응용 분야
개요A second bisbenzylisoquinoline base from Limacia cuspidata (Miers.) Hook. f. et Thorn., the alkaloid is separated from the accompanying !imacine by chromato graphy on a silica column. It crystallizes in colourless prisms from MeOH-Me2 CO and has [α]D + 110° (CHCI3). One hydroxyl group is present and the alkaloid yields the O-methyl ether as colourless needles, m.p. 210-2° C; [α]D + 90°, (CHCI3), shown to be identical with N-methyl-dihydroepistephanine B. The structure has been established by chemical interconversions with limacine and cuspidaline (q.v.).
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