基本情報
- CAS
62724-08-7- 標準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- 分子式
- C39H44N2O8
- 平均分子量
- 668.8 g/mol
- 単同位体質量
- 668.30976637
概要
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.
名称と識別子
- 優先名称
- 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
名称と別名
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
データベース識別子
- CAS
62724-08-7- PubChem CID
- 3085252
- DTXSID
DTXSID10211807
物性
構造計算による物性
- XLogP
- 6
- 極性表面積
- 102 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 10
- 回転可能結合数
- 9
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,090
関連反応
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