(Q104923452)

English

1-[(4R,12R,13R,14S,19R,21S)-9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl]ethanone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

strychnidine alkaloid

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akuammicine alkaloid

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mass

398.184171932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[(4R,12S,13R,14R,19R,21S)-9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl]ethanone

1 reference

based on heuristic

inferred from InChI

1-[(4R,12R,13S,14S,19R,21S)-9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl]ethanone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆N₂O₅

0 references

canonical SMILES

O=C(N1C2=C(O)C(OC)=CC=C2C34CCN5CC6=CCOC(O)C(C6CC53)C14)C

0 references

isomeric SMILES

COc1ccc2c(c1O)N(C(C)=O)[C@@H]1[C@@H]3[C@@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43

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found in taxon

Strychnos henningsii

1 reference

stated in

Concerning alkaloids from Strychnos henningsii Gilg

Identifiers

InChI

InChI=1S/C22H26N2O5/c1-11(25)24-18-14(3-4-15(28-2)19(18)26)22-6-7-23-10-12-5-8-29-21(27)17(20(22)24)13(12)9-16(22)23/h3-5,13,16-17,20-21,26-27H,6-10H2,1-2H3/t13-,16-,17+,20+,21-,22+/m0/s1

0 references

InChIKey

BCKDRLNZTWKJHT-MECPYOMSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BCKDRLNZTWKJHT-MECPYOMSSA-N

(Q104923452)

1-[(4R,12R,13R,14S,19R,21S)-9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl]ethanone

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Identifiers

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