기본 정보
- CAS
62724-08-7- 표준 SMILES
COc1cc2c(cc1O)[C@H](Cc1cc(O)c(OC)cc1Oc1cc3c(cc1OC)-c1c(OC)c(OC)cc4c1[C@H](C3)N(C)CC4)N(C)CC2- InChIKey
YUHPJUJTENZURH-NSOVKSMOSA-N- 분자식
- C39H44N2O8
- 평균 분자량
- 668.8 g/mol
- 단동위원소 질량
- 668.30976637
개요
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((5-hydroxy-4-methoxy-2-((5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenyl)methyl)-6-methoxy-2-methyl-, (S-(R*,R*))- has been reported in Thalictrum foetidum and Thalictrum revolutum with data available.
이름 및 식별자
- 우선 이름
- 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((5-hydroxy-4-methoxy-2-((5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenyl)methyl)-6-methoxy-2-methyl-, (S-(R*,R*))-
- IUPAC
- (1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-5-hydroxy-4-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
이름 및 동의어
62724-08-77-Isoquinolinol, 1,2,3,4-tetrahydro-1-((5-hydroxy-4-methoxy-2-((5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenyl)methyl)-6-methoxy-2-methyl-, (S-(R*,R*))-ThalipineDTXSID10211807(S-(R*,R*))-1,2,3,4-Tetrahydro-1-((5-hydroxy-4-methoxy-2-((5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinol(1S)-1-[(5-Hydroxy-4-methoxy-2-{[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy}phenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
데이터베이스 식별자
- CAS
62724-08-7- PubChem CID
- 3085252
- DTXSID
DTXSID10211807
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,090
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