(Q105187375)

English

(1S,12S,13R,17Z,18R)-17-ethylidene-7-methoxy-3-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7-tetraen-16-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

alkaloid

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mass

352.178692628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄N₂O₃

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canonical SMILES

O=C1OCC2C3NC(C4=C(C=5C=C(OC)C=CC5N4C)C3)CC2C1=CC

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isomeric SMILES

C/C=C1\C(=O)OC[C@H]2[C@@H]3Cc4c(n(C)c5ccc(OC)cc45)[C@H](C[C@@H]12)N3

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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/C21H24N2O3/c1-4-12-13-8-18-20-15(9-17(22-18)16(13)10-26-21(12)24)14-7-11(25-3)5-6-19(14)23(20)2/h4-7,13,16-18,22H,8-10H2,1-3H3/b12-4-/t13-,16+,17-,18-/m0/s1

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InChIKey

NXYBVKLDFIIFTB-ZEAKKAQPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NXYBVKLDFIIFTB-ZEAKKAQPSA-N

1 reference

(Q105187375)

(1S,12S,13R,17Z,18R)-17-ethylidene-7-methoxy-3-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7-tetraen-16-one

Statements

Identifiers

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