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alisiaquninone C

Go to external page http://purl.obolibrary.org/obo/CHEBI_65384

An organic heterohexacyclic compound that is isolated from New Caledonian deep water sponge and exhibits antiplasmodial properties.

Term info

Label

alisiaquninone C

Synonyms
  • (3aS,5aR,14bS,14cS)-5a-hydroxy-3a,14b-dimethyl-1,2,3,3a,4,5a,11,12,14b,14c-decahydrofuro[4',3',2':4,5]tetrapheno[9,10-b][1,4]thiazine-6,8,13(10H)-trione 9,9-dioxide
database cross reference
Subsets

3_STAR

IUPAC NAME
(3aS,5aR,14bS,14cS)-5a-hydroxy-3a,14b-dimethyl-1,2,3,3a,4,5a,11,12,14b,14c-decahydrofuro[4',3',2':4,5]tetrapheno[9,10-b][1,4]thiazine-6,8,13(10H)-trione 9,9-dioxide [ IUPAC ]

charge

0

formula

C23H23NO7S

has obo namespace

chebi_ontology

id

CHEBI:65384

inchi

InChI=1S/C23H23NO7S/c1-21-4-3-5-22(2)14-9-12-11(8-13(14)19(27)23(28,20(21)22)31-10-21)17(26)18-15(16(12)25)24-6-7-32(18,29)30/h8-9,20,24,28H,3-7,10H2,1-2H3/t20-,21-,22-,23+/m1/s1

inchikey

SFWTYJIXVMNTBL-ODAXIHTASA-N

mass

457.49600

monoisotopicmass

457.11952

smiles

[H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4C(=O)C5=C(C(=O)c4cc1C(=O)[C@]2(O)OC3)S(=O)(=O)CCN5