(Q105178484)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

386.184171932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₂O₅

0 references

canonical SMILES

O=C(OC)C1=C2NC3=CC(OC)=CC=C3C24CCN5CC(O)(C(O)C)C1CC54

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isomeric SMILES

COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2C[C@@](O)([C@H](C)O)[C@@H]1C[C@H]23

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found in taxon

Alstonia angustifolia

2 references

stated in

Alkaloids from Alstonia angustifolia

stated in

Alkaloids from Alstonia angustifolia

Alstonia lenormandii

1 reference

stated in

Alkaloids of Alstonia lenormandii, a structural revision of 10-methoxycompactinervine

Alstonia costata

1 reference

stated in

Alcaloïdes d'Alstonia vitiensis var. Novo ebudica monachino

Identifiers

InChI

InChI=1S/C21H26N2O5/c1-11(24)21(26)10-23-7-6-20-13-5-4-12(27-2)8-15(13)22-18(20)17(19(25)28-3)14(21)9-16(20)23/h4-5,8,11,14,16,22,24,26H,6-7,9-10H2,1-3H3/t11-,14+,16-,20+,21+/m0/s1

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InChIKey

NFIFPWIZYHMYPQ-YVPYWHSZSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105178484)

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

Statements

Identifiers

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