(Q105227525)

English

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

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=CC1=C(OCC2C1CC3C=4NC=5C=CC=CC5C4CC2N3C)C

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isomeric SMILES

CC1=C(C=O)[C@@H]2C[C@H]3c4[nH]c5ccccc5c4C[C@@H]([C@@H]2CO1)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/c1-11-15(9-23)13-7-19-20-14(12-5-3-4-6-17(12)21-20)8-18(22(19)2)16(13)10-24-11/h3-6,9,13,16,18-19,21H,7-8,10H2,1-2H3/t13-,16+,18-,19-/m0/s1

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InChIKey

QSZUAXIGOGUBNW-BIGGFVEDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QSZUAXIGOGUBNW-BIGGFVEDSA-N

1 reference

(Q105227525)

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

Statements

Identifiers

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