(Q105341533)

English

methyl (1R,9S,10S,12S,16S,17S)-13-ethylidene-18-hydroxy-8-methyl-15-oxido-8-aza-15-azoniahexacyclo[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 C₂₂H₂₆N₂O₄

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Statements

instance of

group of stereoisomers

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1 reference

1 reference

382.189257312 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆N₂O₄

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canonical SMILES

O=C(OC)C12C(O)C34C=5C=CC=CC5N(C)C4C6CC2C(=CC)C[N+]6([O-])C1C3

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isomeric SMILES

CC=C1C[N+]2([O-])[C@H]3C[C@@H]1[C@@]1(C(=O)OC)C(O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34

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found in taxon

Alstonia macrophylla

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stated in

Alstiphyllanines E-H, picraline and ajmaline-type alkaloids from Alstonia macrophylla inhibiting sodium glucose cotransporter.

Identifiers

InChI

InChI=1S/C22H26N2O4/c1-4-12-11-24(27)16-9-14(12)22(20(26)28-3)17(24)10-21(19(22)25)13-7-5-6-8-15(13)23(2)18(16)21/h4-8,14,16-19,25H,9-11H2,1-3H3/t14-,16-,17-,18+,19?,21+,22-,24?/m0/s1

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InChIKey

XTFVLFGRXGBQCC-WWAAUBSESA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105341533)

methyl (1R,9S,10S,12S,16S,17S)-13-ethylidene-18-hydroxy-8-methyl-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

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