Chem
J-GLOBAL ID:200907049418636318   Nikkaji number:J721.296H

20-epi-Ervatamine

20-epi-エルバタミン
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: C21H26N2O3
Molecular formula furigana: C21-H26-N2-O3
Molecular weight: 354.450
InChI: InChI=1S/C21H26N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h5-8,13,16,22H,4,9-12H2,1-3H3/t13-,16-,21-/m0/s1
InChI key: METLQVFFFUYXNT-PCMMCCAGSA-N
SMILES: CC[C@H]1CN(C)C[C@]2(Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12)C(=O)OC
Systematic name  (4):
  • 4α-エチル-2,3,4,4aβ,5,6,7,12-オクタヒドロ-2-メチル-6-オキソピリド[3′,4′:4,5]シクロヘプタ[1,2-b]インドール-12aβ(1H)-カルボン酸メチル
  • (4R)-4α-エチル-2,3,4,4aβ,5,6,7,12-オクタヒドロ-2-メチル-6-オキソピリド[3′,4′:4,5]シクロヘプタ[1,2-b]インドール-12aβ(1H)-カルボン酸メチル
  • メチル (3R,7R,8S)-7-エチル-5-メチル-10-オキソ-5,12-ジアザテトラシクロ[9.7.0.03,8.013,18]オクタデカ-1(11),13,15,17-テトラエン-3-カルボキシラート
  • methyl (3R,7R,8S)-7-ethyl-5-methyl-10-oxo-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-3-carboxylate
Other name (3):
  • 20-epi-エルバタミン
  • 20-epi-Ervatamine
  • (4R)-4α-Ethyl-2,3,4,4aβ,5,6,7,12-octahydro-2-methyl-6-oxopyrido[3′,4′:4,5]cyclohept[1,2-b]indole-12aβ(1H)-carboxylic acid methyl ester
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