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cerberin

Go to external page http://purl.obolibrary.org/obo/CHEBI_75049

A cardenolide glycoside that is the 2'-acetyl derivative of neriifolin.

Term info

Label

cerberin

Synonyms
  • (3beta,5beta)-3-[(2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta,5beta)-3-[(2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ IUPAC ]

charge

0

formula

C32H48O9

has obo namespace

chebi_ontology

has related synonym

3beta-O-(L-2'-O-acetylthevetosyl)-14beta-hydroxy-5beta-card-20(22)-enolide, 2'-Acetylneriifolin

id

CHEBI:75049

inchi

InChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1

inchikey

UYQMTWMXBKEHJQ-IVHDSYOHSA-N

mass

576.71810

monoisotopicmass

576.32983

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]1OC(C)=O