(Q105012305)

English

methyl (1R,11R,12R,17S)-6-hydroxy-12-[(1R)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl (11S,12R,17S)-6-hydroxy-12-[(1R)-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 SMILES

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

1 reference

1 reference

356.173607248 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄N₂O₄

0 references

canonical SMILES

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

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isomeric SMILES

COC(=O)C1=C2Nc3c(O)cccc3[C@@]23CCN2C[C@H]([C@@H](C)O)[C@H]1C[C@H]23

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found in taxon

Alstonia scholaris

1 reference

stated in

Alkaloids from the leaves of Alstonia scholaris in Taiwan, Thailand, Indonesia and the Philippines

Identifiers

InChI

InChI=1S/C20H24N2O4/c1-10(23)12-9-22-7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)26-2)11(12)8-15(20)22/h3-5,10-12,15,21,23-24H,6-9H2,1-2H3/t10-,11-,12-,15+,20-/m1/s1

0 references

InChIKey

GNCUCBQZLQLSOF-MYDFCGJWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GNCUCBQZLQLSOF-MYDFCGJWSA-N

(Q105012305)

methyl (1R,11R,12R,17S)-6-hydroxy-12-[(1R)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate

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