Chem
J-GLOBAL ID:200907051539902907   Nikkaji number:J872.469E

Acetic acid [[(5S)-6-methyl-10,10a-didehydro-9-nor-10a-homoergolin]-8β-yl]methyl ester

酢酸[[(5S)-6-メチル-10,10a-ジデヒドロ-9-ノル-10a-ホモエルゴリン]-8β-イル]メチル
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: C18H20N2O2
Molecular formula furigana: C18-H20-N2-O2
Molecular weight: 296.370
InChI: InChI=1S/C18H20N2O2/c1-11(21)22-10-14-9-20(2)17-7-13-8-19-16-5-3-4-12(18(13)16)6-15(14)17/h3-6,8,14,17,19H,7,9-10H2,1-2H3/t14-,17+/m1/s1
InChI key: PTCZJZRIQDDDMT-PBHICJAKSA-N
SMILES: CN1C[C@H](COC(=O)C)C2=Cc3cccc4[nH]cc(C[C@H]12)c34
Systematic name  (3):
  • 酢酸[[(5S)-6-メチル-10,10a-ジデヒドロ-9-ノル-10a-ホモエルゴリン]-8β-イル]メチル
  • [(4R,7S)-6-メチル-6,11-ジアザテトラシクロ[7.6.1.03,7.012,16]ヘキサデカ-1(16),2,9,12,14-ペンタエン-4-イル]メチル アセタート
  • [(4R,7S)-6-methyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methyl acetate
Other name (1):
  • Acetic acid [[(5S)-6-methyl-10,10a-didehydro-9-nor-10a-homoergolin]-8β-yl]methyl ester
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