(Q104937628)

English

methyl (1R,9S,10S,12S,13Z,16S,17R,18S)-18-(3,4-dimethoxybenzoyl)oxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 18-(3,4-dimethoxybenzoyl)oxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (1R,9S,10S,12S,13Z,16S,17S)-18-(3,4-dimethoxybenzoyl)oxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

530.241686808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₄N₂O₆

0 references

canonical SMILES

O=C(OC1C23C=4C=CC=CC4N(C)C3C5N6CC(=CC)C(C5)C1(C(=O)OC)C6C2)C7=CC=C(OC)C(OC)=C7

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isomeric SMILES

C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@@H]1OC(=O)c1ccc(OC)c(OC)c1

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found in taxon

Alstonia macrophylla

1 reference

stated in

Alstiphyllanines E-H, picraline and ajmaline-type alkaloids from Alstonia macrophylla inhibiting sodium glucose cotransporter.

Identifiers

InChI

InChI=1S/C31H34N2O6/c1-6-17-16-33-22-14-20(17)31(29(35)38-5)25(33)15-30(19-9-7-8-10-21(19)32(2)26(22)30)28(31)39-27(34)18-11-12-23(36-3)24(13-18)37-4/h6-13,20,22,25-26,28H,14-16H2,1-5H3/b17-6+/t20-,22-,25-,26+,28-,30+,31+/m0/s1

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InChIKey

BKIZFGGUZGQTJG-VTVGIJKBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104937628)

methyl (1R,9S,10S,12S,13Z,16S,17R,18S)-18-(3,4-dimethoxybenzoyl)oxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

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