(Q105290183)

English

trimethyl (1R,9R,16R,18R)-13-oxo-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Trimethyl 13-oxo-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

454.174001172 dalton

1 reference

2 references

inferred from InChIKey

1 reference

trimethyl (1R,9R,16R,18S)-13-oxo-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate

1 reference

based on heuristic

inferred from InChI

Grandilodine B, (rel)-

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₆N₂O₇

0 references

canonical SMILES

O=C(OC)N1C=2C=CC=CC2C3(C(=O)OC)CCN4C(=O)C=CC45CCC13C(C(=O)OC)C5

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isomeric SMILES

COC(=O)[C@@H]1C[C@]23C=CC(=O)N2CC[C@@]2(C(=O)OC)c4ccccc4N(C(=O)OC)[C@]12CC3

0 references

found in taxon

Kopsia grandifolia

1 reference

stated in

Grandilodines A-C, biologically active indole alkaloids from Kopsia grandifolia

Identifiers

InChI

InChI=1S/C24H26N2O7/c1-31-19(28)16-14-22-9-8-18(27)25(22)13-12-23(20(29)32-2)15-6-4-5-7-17(15)26(21(30)33-3)24(16,23)11-10-22/h4-9,16H,10-14H2,1-3H3/t16-,22+,23-,24+/m0/s1

0 references

InChIKey

VOHFPFMHDXIAOK-CPUMGYLUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VOHFPFMHDXIAOK-CPUMGYLUSA-N

(Q105290183)

trimethyl (1R,9R,16R,18R)-13-oxo-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate

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