Terminology Service for NFDI4Health
JSON

neriifolin

Go to external page http://purl.obolibrary.org/obo/CHEBI_7522

A cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia.

Term info

Label

neriifolin

Synonyms
  • 3beta-(6-deoxy-3-O-methyl-alpha-L-glucopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
  • Neriifolin
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta-(6-deoxy-3-O-methyl-alpha-L-glucopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide [ IUPAC ]

charge

0

formula

C30H46O8

has obo namespace

chebi_ontology

has related synonym

Digitoxigenin 3-(alpha-L-thevetoside)

id

CHEBI:7522

inchi

InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1

inchikey

VPUNMTHWNSJUOG-BAOINKAISA-N

mass

534.68144

monoisotopicmass

534.31927

smiles

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1O