(Q104990602)

English

N(4)-Demethylalstogustine

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 19-hydroxy-2,16-didehydrocuran-17-oate

1 reference

based on heuristic

inferred from SMILES

mass

340.178692628 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,11S,12S,17S)-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1R,11S,12R,17S)-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄N₂O₃

0 references

canonical SMILES

O=C(OC)C1=C2NC=3C=CC=CC3C24CCN5CC(C(O)C)C1CC54

0 references

isomeric SMILES

COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@H]([C@@H](C)O)[C@@H]1C[C@H]23

0 references

found in taxon

Alstonia spathulata

1 reference

stated in

Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine

Alstonia scholaris

1 reference

stated in

New indole alkaloids from the bark of Alstonia scholaris

Identifiers

InChI

InChI=1S/C20H24N2O3/c1-11(23)13-10-22-8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25-2)12(13)9-16(20)22/h3-6,11-13,16,21,23H,7-10H2,1-2H3/t11-,12+,13-,16+,20-/m1/s1

0 references

InChIKey

DWLJVOJBWLYMJO-VLXZENBVSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

DWLJVOJBWLYMJO-VLXZENBVSA-N

1 reference

(Q104990602)

N(4)-Demethylalstogustine

Statements

Identifiers

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