(Q105219921)

English

methyl (1S,15S,16R,18S)-16-ethyl-12-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 16-ethyl-12-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

352.178692628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄N₂O₃

0 references

canonical SMILES

O=C(OC)C12C=3NC=4C=CC=CC4C3CC(=O)N5CC(C1)C(CC)CC52

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isomeric SMILES

CC[C@@H]1C[C@@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1CC3=O

0 references

found in taxon

Tabernaemontana divaricata

1 reference

stated in

New alkaloids from Tabernaemontana divaricata

Identifiers

InChI

InChI=1S/C21H24N2O3/c1-3-12-8-17-21(20(25)26-2)10-13(12)11-23(17)18(24)9-15-14-6-4-5-7-16(14)22-19(15)21/h4-7,12-13,17,22H,3,8-11H2,1-2H3/t12-,13-,17+,21+/m1/s1

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InChIKey

QGCCNDHQOLDQGR-SMPSEYGHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QGCCNDHQOLDQGR-SMPSEYGHSA-N

(Q105219921)

methyl (1S,15S,16R,18S)-16-ethyl-12-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

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Identifiers

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