(Q105126016)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

Curan-17-oic acid, 2,16-didehydro-19,20-dihydroxy-, methyl ester, (19S)-

1 reference

based on heuristic

inferred from SMILES

mass

356.173607248 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

C₂₀H₂₄N₂O₄

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

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found in taxon

Alstonia yunnanensis

1 reference

stated in

Monoterpenoid indole alkaloids from Alstonia yunnanensis

Aspidosperma spruceanum

1 reference

stated in

A NEW ASPIDOSPERMA ALKALOID: O-DEMETHYLASPIDOCARPINE

Rauwolfia sprucei

1 reference

stated in

Indole alkaloids from Rauwolfia sprucei

Identifiers

InChI

InChI=1S/C20H24N2O4/c1-11(23)20(25)10-22-8-7-19-12-5-3-4-6-14(12)21-17(19)16(18(24)26-2)13(20)9-15(19)22/h3-6,11,13,15,21,23,25H,7-10H2,1-2H3/t11-,13+,15-,19-,20+/m0/s1

0 references

InChIKey

JEEKFGBFFFFEHQ-UJRUSAQZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JEEKFGBFFFFEHQ-UJRUSAQZSA-N

(Q105126016)

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

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