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neurolenin C

Go to external page http://purl.obolibrary.org/obo/CHEBI_66622

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

Term info

Label

neurolenin C

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

3_STAR

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

charge

0

formula

C20H28O7

has obo namespace

chebi_ontology

id

CHEBI:66622

inchi

InChI=1S/C20H28O7/c1-10(2)8-15(22)27-18-17(23)16-12(4)19(24)26-13(16)9-11(3)6-7-14(21)20(18,5)25/h6-7,10-11,13,16-18,23,25H,4,8-9H2,1-3,5H3/b7-6-/t11-,13+,16-,17-,18+,20+/m0/s1

inchikey

PBRMNFXOHFGVPZ-HVACLVPVSA-N

mass

380.43210

monoisotopicmass

380.18350

smiles

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