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tabernaemontanine

Go to external page http://purl.obolibrary.org/obo/CHEBI_142075

A monoterpenoid indole alkaloid with formula C21H26N2O3, isolated from several species of Tabernaemontana.

Term info

Label

tabernaemontanine

Synonyms
  • methyl (20beta)-3-oxo-19,20-dihydrovobasan-17-oate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl (20beta)-3-oxo-19,20-dihydrovobasan-17-oate [ IUPAC ]

charge

0

formula

C21H26N2O3

has obo namespace

chebi_ontology

has related synonym

(-)-tabernaemontanine, 20-epidregamine, tabernaemontanin, tabernemontanine, (-)-tabernemontanine

id

CHEBI:142075

inchi

InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17+,19+/m1/s1

inchikey

FFVRRQMGGGTQRH-DTPILHQWSA-N

mass

354.444

monoisotopicmass

354.19434

smiles

CC[C@@H]1CN(C)[C@]2(CC=3C4=CC=CC=C4NC3C(C[C@@]1([C@@]2(C(=O)OC)[H])[H])=O)[H]