(Q105140253)

English

methyl (1R,9S,10S,12S,13E,15S,16S,17R,18S)-18-acetyloxy-13-ethylidene-4-methoxy-8-methyl-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-17-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

(-)-10-Methoxyvincamedine N-oxide

1 reference

based on heuristic

inferred from SMILES

mass

454.21038668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀N₂O₆

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canonical SMILES

O=C(OC1C23C4=CC(OC)=CC=C4N(C)C3C5CC6C(=CC)C[N+]5([O-])C(C2)C16C(=O)OC)C

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isomeric SMILES

C/C=C1/C[N@@+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H](OC(C)=O)[C@]4(C[C@@H]12)c1cc(OC)ccc1N(C)[C@H]34

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found in taxon

Alstonia sphaerocapitata

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stated in

Alkaloids of Alstonia sphaerocapitata

Identifiers

InChI

InChI=1S/C25H30N2O6/c1-6-14-12-27(30)19-10-16(14)25(23(29)32-5)20(27)11-24(22(25)33-13(2)28)17-9-15(31-4)7-8-18(17)26(3)21(19)24/h6-9,16,19-22H,10-12H2,1-5H3/b14-6-/t16-,19-,20-,21+,22-,24+,25+,27+/m0/s1

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InChIKey

KEYBIQDNZZMBOR-FHSAKTLSSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105140253)

methyl (1R,9S,10S,12S,13E,15S,16S,17R,18S)-18-acetyloxy-13-ethylidene-4-methoxy-8-methyl-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-17-carboxylate

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Identifiers

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