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voacangine

Go to external page http://purl.obolibrary.org/obo/CHEBI_141966

A monoterpenoid indole alkaloid with formula C22H28N2O3, isolated from several plant species.

Term info

Label

voacangine

Synonyms
  • methyl 12-methoxyibogamine-18-carboxylate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl 12-methoxyibogamine-18-carboxylate [ IUPAC ]

charge

0

formula

C22H28N2O3

has obo namespace

chebi_ontology

has related synonym

(-)-voacangine, 12-methoxyibogamine-18-carboxylic acid methyl ester, carbomethoxyibogaine

id

CHEBI:141966

inchi

InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14+,20+,22-/m1/s1

inchikey

MMAYTCMMKJYIAM-PHKAQXKASA-N

mass

368.470

monoisotopicmass

368.20999

smiles

CC[C@H]1C[C@@]2(C[C@]3(C4=C(CCN(C2)[C@@]13[H])C=5C=C(C=CC5N4)OC)C(=O)OC)[H]