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(1'S,5'S)-averufin

Go to external page http://purl.obolibrary.org/obo/CHEBI_71537

An organic heteropentacyclic compound that is 3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione substituted at position 2 by a methyl group and at positions 7, 9 and 11 by hydroxy groups (the S,S-diastereomer)

Term info

Label

(1'S,5'S)-averufin

Synonyms
  • (1'S,5'S)-averufin
  • (2S,6S)-7,9,11-trihydroxy-2-methyl-3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,6S)-7,9,11-trihydroxy-2-methyl-3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione [ IUPAC ]

charge

0

formula

C20H16O7

has obo namespace

chebi_ontology

id

CHEBI:71537

inchi

InChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1

inchikey

RYFFZJHGQCKWMV-YUNKPMOVSA-N

mass

368.33680

monoisotopicmass

368.08960

smiles

[H][C@]12CCC[C@](C)(Oc3cc4C(=O)c5cc(O)cc(O)c5C(=O)c4c(O)c13)O2