Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:02:06 UTC
Update Date2022-12-15 22:51:45 UTC
Metabolite IDMMDBc0018894
Metabolite Identification
Common NameGanoderiol E
DescriptionGanoderiol E belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ganoderiol E is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC30H48O4
Average Mass472.71
Monoisotopic Mass472.355260026
IUPAC Name(2S,5S,7R,11R,14R,15R)-5-hydroxy-14-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-9-one
Traditional Name(2S,5S,7R,11R,14R,15R)-5-hydroxy-14-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-9-one
CAS Registry NumberNot Available
SMILES
[H][C@@](C)(CCC=C(CO)CO)[C@@]1([H])CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)[C@]1([H])CC3=O
InChI Identifier
InChI=1S/C30H48O4/c1-19(8-7-9-20(17-31)18-32)21-10-15-30(6)26-22(11-14-29(21,30)5)28(4)13-12-25(34)27(2,3)24(28)16-23(26)33/h9,19,21,24-25,31-32,34H,7-8,10-18H2,1-6H3/t19-,21-,24+,25+,28-,29-,30+/m1/s1
InChI KeySFOQBXHAGFVBPZ-ISSSRCBTSA-N