Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:45:03 UTC
Update Date2022-08-31 06:44:03 UTC
Metabolite IDMMDBc0018564
Metabolite Identification
Common NamePennicitrinone D
DescriptionPennicitrinone D belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. Based on a literature review very few articles have been published on Pennicitrinone D.
Structure
SynonymsNot Available
Molecular FormulaC23H24O6
Average Mass396.439
Monoisotopic Mass396.157288493
IUPAC Name(6R,7R,17S,18R)-3,6-dihydroxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0^{2,10}.0^{5,9}.0^{16,20}]icosa-1(20),2(10),3,5(9),12,15-hexaen-14-one
Traditional Name(6R,7R,17S,18R)-3,6-dihydroxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0^{2,10}.0^{5,9}.0^{16,20}]icosa-1(20),2(10),3,5(9),12,15-hexaen-14-one
CAS Registry NumberNot Available
SMILES
[H][C@]1(C)OC2=C3OC4=CC(=O)C(C)=C5C4=C(O[C@]([H])(C)[C@@]5([H])C)C3=C(O)C(C)=C2[C@@]1(C)O
InChI Identifier
InChI=1S/C23H24O6/c1-8-11(4)27-20-16-14(7-13(24)9(2)15(8)16)29-21-17(20)19(25)10(3)18-22(21)28-12(5)23(18,6)26/h7-8,11-12,25-26H,1-6H3/t8-,11-,12-,23+/m1/s1
InChI KeyCRSYXEQNEAGMIY-JYUKFHQISA-N