(Q105036580)

English

1-[(1R,9S,10S,11R,12Z,17S)-12-(2-hydroxyethylidene)-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone

chemical compound

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instance of

type of chemical entity

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subclass of

1-[12-(2-Hydroxyethylidene)-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone

1 reference

based on heuristic

inferred from SMILES

mass

354.194342692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₂O₃

0 references

canonical SMILES

O=C(N1C=2C=CC=CC2C34CCN5CC(=CCO)C(CC53)C(CO)C14)C

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isomeric SMILES

CC(=O)N1c2ccccc2[C@]23CCN4C/C(=C\CO)[C@H](C[C@H]42)[C@H](CO)[C@H]13

0 references

found in taxon

Strychnos henningsii

1 reference

stated in

CINQ alcaloides nouveaux de Strychnos henningsii

Identifiers

InChI

InChI=1S/C21H26N2O3/c1-13(26)23-18-5-3-2-4-17(18)21-7-8-22-11-14(6-9-24)15(10-19(21)22)16(12-25)20(21)23/h2-6,15-16,19-20,24-25H,7-12H2,1H3/b14-6+/t15-,16-,19-,20-,21+/m0/s1

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InChIKey

IBMZGBUUFLTKEA-KKUGNOTDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IBMZGBUUFLTKEA-KKUGNOTDSA-N

(Q105036580)

1-[(1R,9S,10S,11R,12Z,17S)-12-(2-hydroxyethylidene)-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone

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