Chem
J-GLOBAL ID:200907081816840457
Nikkaji number:J552.215C
6-Methylergoline-8β-carboxylic acid 2-hydroxy-1-methylpropyl ester
6-メチルエルゴリン-8β-カルボン酸2-ヒドロキシ-1-メチルプロピル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C20 H26 N2 O3
Molecular formula furigana:
C20-H26-N2-O3
Molecular weight:
342.439
InChI:
InChI=1S/C20H26N2O3/c1-11(23)12(2)25-20(24)14-7-16-15-5-4-6-17-19(15)13(9-21-17)8-18(16)22(3)10-14/h4-6,9,11-12,14,16,18,21,23H,7-8,10H2,1-3H3/t11?,12?,14-,16-,18-/m1/s1
InChI key:
GOHDSZGHAHFEHG-JZLGIKSISA-N
SMILES:
CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Systematic name (4):
(6aR)-7-メチル-4,6,6aα,7,8,9,10,10aβ-オクタヒドロインドロ[4,3-fg]キノリン-9α-カルボン酸2-ヒドロキシ-1-メチルプロピル
6-メチルエルゴリン-8β-カルボン酸2-ヒドロキシ-1-メチルプロピル
3-ヒドロキシブタン-2-イル (2R,4R,7R)-6-メチル-6,11-ジアザテトラシクロ[7.6.1.02,7 .012,16 ]ヘキサデカ-1(16),9,12,14-テトラエン-4-カルボキシラート
3-hydroxybutan-2-yl (2R,4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.02,7 .012,16 ]hexadeca-1(16),9,12,14-tetraene-4-carboxylate
Other name (2):
6-Methylergoline-8β-carboxylic acid 2-hydroxy-1-methylpropyl ester
(6aR)-7-Methyl-4,6,6aα,7,8,9,10,10aβ-octahydroindolo[4,3-fg]quinoline-9α-carboxylic acid 2-hydroxy-1-methylpropyl ester
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