(Q105286430)

English

methyl (1S,9S,10R,12S,13E,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate

chemical compound

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Statements

instance of

group of stereoisomers

0 references

subclass of

echitamine-type alkaloid

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mass

384.204907376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈N₂O₄

0 references

canonical SMILES

O=C(OC)C1(CO)C2C(=CC)CN3CCC41C=5C=CC=CC5N(C)C34C(O)C2

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isomeric SMILES

C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC

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found in taxon

Hunteria umbellata

1 reference

stated in

Alcaloides des feuilles de L'Hunteria elliotii

Hunteria zeylanica

1 reference

stated in

Alkaloids of Hunteria zeylanica

Identifiers

InChI

InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-21-15-7-5-6-8-17(15)23(2)22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,25-26H,9-13H2,1-3H3/b14-4-/t16-,18+,20-,21-,22-/m0/s1

0 references

InChIKey

VHHHUTQYLNXPEH-FISMBLKASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VHHHUTQYLNXPEH-FISMBLKASA-N

(Q105286430)

methyl (1S,9S,10R,12S,13E,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate

Statements

Identifiers

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