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neurolenin B

Go to external page http://purl.obolibrary.org/obo/CHEBI_66621

A germacranolide isolated from Neurolaena lobata and Austroeupatorium inulifolium and has been shown to exhibit antimalarial activity.

Term info

Label

neurolenin B

Synonyms
  • (3aS,4S,5R,6S,8Z,10R,11aR)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl 3-methylbutanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(3aS,4S,5R,6S,8Z,10R,11aR)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl 3-methylbutanoate [ IUPAC ]

charge

0

formula

C22H30O8

has obo namespace

chebi_ontology

id

CHEBI:66621

inchi

InChI=1S/C22H30O8/c1-11(2)9-17(25)30-19-18-13(4)21(26)29-15(18)10-12(3)7-8-16(24)22(6,27)20(19)28-14(5)23/h7-8,11-12,15,18-20,27H,4,9-10H2,1-3,5-6H3/b8-7-/t12-,15+,18-,19-,20+,22+/m0/s1

inchikey

UVRIFAYGSSDVER-MBZNIOTRSA-N

mass

422.46880

monoisotopicmass

422.19407

smiles

[H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@]1([H])C(=C)C(=O)O2