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alisiaquinone B

Go to external page http://purl.obolibrary.org/obo/CHEBI_65383

A heteropentacyclic compound that is the 9-methoxy derivative of alisiaquinone A. An antiplasmodial drug isolated from New Caledonian deep water sponge.

Term info

Label

alisiaquinone B

Synonyms
  • (3aS,5aR,12bS,12cS)-5a-hydroxy-9-methoxy-3a,12b-dimethyl-2,3,3a,4,12b,12c-hexahydro-1H-tetrapheno[5,4-bc]furan-6,8,11(5aH)-trione
database cross reference
Subsets

3_STAR

IUPAC NAME
(3aS,5aR,12bS,12cS)-5a-hydroxy-9-methoxy-3a,12b-dimethyl-2,3,3a,4,12b,12c-hexahydro-1H-tetrapheno[5,4-bc]furan-6,8,11(5aH)-trione [ IUPAC ]

charge

0

formula

C22H22O6

has obo namespace

chebi_ontology

id

CHEBI:65383

inchi

InChI=1S/C22H22O6/c1-20-5-4-6-21(2)14-8-11-12(17(24)16(27-3)9-15(11)23)7-13(14)18(25)22(26,19(20)21)28-10-20/h7-9,19,26H,4-6,10H2,1-3H3/t19-,20-,21-,22+/m1/s1

inchikey

FYMHBDYBAOKOHD-YSFYHYPLSA-N

mass

382.40650

monoisotopicmass

382.14164

smiles

[H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4C(=O)C=C(OC)C(=O)c4cc1C(=O)[C@]2(O)OC3