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neurolenin D

Go to external page http://purl.obolibrary.org/obo/CHEBI_66623

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

Term info

Label

neurolenin D

Synonyms
  • (3aS,4S,5R,6S,8Z,10R,11aR)-5,6-dihydroxy-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)-5,6-dihydroxy-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

C20H28O7

has obo namespace

chebi_ontology

id

CHEBI:66623

inchi

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

QPYBAPKWMFWJOS-HVACLVPVSA-N

mass

380.43210

monoisotopicmass

380.18350

smiles

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