Chem
J-GLOBAL ID:200907065816011145
Nikkaji number:J6.446G
Elymoclavine
エリモクラビン
Download MOL file
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:
C16 H18 N2 O
Molecular formula furigana:
C16-H18-N2-O
Molecular weight:
254.333
InChI:
InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/t13-,15-/m1/s1
InChI key:
DAVNRFCJMIONPO-UKRRQHHQSA-N
SMILES:
CN1CC(=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)CO
Systematic name (3):
8,9-ジデヒドロ-6-メチルエルゴリン-8-メタノール
[(2R,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),3,9,12,14-ペンタエン-4-イル]メタノール
[(2R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.02,7 .012,16 ]hexadeca-1(16),3,9,12,14-pentaen-4-yl]methanol
Other name (3):
エリモクラビン
Elymoclavine
8,9-Didehydro-6-methylergoline-8-methanol
CAS registry number:
548-43-6
Regulation number (2):
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