(Q105269647)

English

methyl (1R,13E,16S)-18-(acetyloxy)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate

group of stereoisomers with the chemical formula C₂₄H₂₈N₂O₄

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Statements

group of stereoisomers

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ajmaline alkaloid

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ajmaline alkaloid

sarpagine alkaloid

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sarpagine alkaloid

408.204907376 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₄H₂₈N₂O₄

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canonical SMILES

O=C(OC1C23C=4C=CC=CC4N(C)C3C5N6CC(=CC)C(C5)C1(C(=O)OC)C6C2)C

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isomeric SMILES

C/C=C1/CN2C3CC1C1(C(=O)OC)C(OC(C)=O)[C@]4(C[C@H]21)c1ccccc1N(C)C34

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Identifiers

InChI=1S/C24H28N2O4/c1-5-14-12-26-18-10-16(14)24(22(28)29-4)19(26)11-23(21(24)30-13(2)27)15-8-6-7-9-17(15)25(3)20(18)23/h5-9,16,18-21H,10-12H2,1-4H3/b14-5-/t16?,18?,19-,20?,21?,23+,24?/m0/s1

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UBTOXVLVFCOIGT-QVCYJDDGSA-N

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1 reference

matched by identifier from

UBTOXVLVFCOIGT-QVCYJDDGSA-N

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