(Q105266094)

English

1-[(1S,12S,13R,18R)-20-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

macroline alkaloid

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mass

322.168127944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂N₂O₂

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canonical SMILES

O=C(C1=COCC2C1CC3C=4NC=5C=CC=CC5C4CC2N3C)C

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isomeric SMILES

CC(=O)C1=COC[C@H]2[C@@H]3Cc4c([nH]c5ccccc45)[C@H](C[C@@H]12)N3C

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found in taxon

Alstonia angustifolia

1 reference

stated in

Oxidized derivatives of macroline, sarpagine, and pleiocarpamine alkaloids from Alstonia angustifolia

Identifiers

InChI

InChI=1S/C20H22N2O2/c1-11(23)15-9-24-10-16-13(15)7-19-20-14(8-18(16)22(19)2)12-5-3-4-6-17(12)21-20/h3-6,9,13,16,18-19,21H,7-8,10H2,1-2H3/t13-,16+,18-,19-/m0/s1

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InChIKey

TWTIKAHXTBNAIY-BIGGFVEDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TWTIKAHXTBNAIY-BIGGFVEDSA-N

1 reference

(Q105266094)

1-[(1S,12S,13R,18R)-20-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone

Statements

Identifiers

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