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15beta-stemmadenine

Go to external page http://purl.obolibrary.org/obo/CHEBI_142656

A monoterpenoid indole alkaloid with forumula C21H26N2O3, isolated from the fruits of Tabernaemontana heyneana.

Term info

Label

15beta-stemmadenine

Synonyms
  • 15beta-stemmadenine
  • methyl (5E,6R,7S)-5-ethylidene-7-(hydroxymethyl)-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate
Subsets

3_STAR

IUPAC NAME
methyl (5E,6R,7S)-5-ethylidene-7-(hydroxymethyl)-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate [ IUPAC ]

charge

0

formula

C21H26N2O3

has obo namespace

chebi_ontology

has related synonym

15-beta-stemmadenine

id

CHEBI:142656

inchi

InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-/t17-,21+/m1/s1

inchikey

MBXJCHZRHROMQA-YVDMJPQFSA-N

mass

354.444

monoisotopicmass

354.19434

smiles

C12=C(C=CC=C1)NC=3[C@]([C@]4(/C(/CN(CC4)CCC32)=C\C)[H])(C(=O)OC)CO