Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:41:09 UTC
Update Date2022-08-31 06:43:54 UTC
Metabolite IDMMDBc0018507
Metabolite Identification
Common NameConidiogenone B
DescriptionConidiogenone B belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Conidiogenone B is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC20H30O
Average Mass286.459
Monoisotopic Mass286.229665586
IUPAC Name(1R,2R,6S,9R,10S,14S)-2,6,11,11,14-pentamethyltetracyclo[7.6.0.0^{1,6}.0^{10,14}]pentadec-3-en-5-one
Traditional Name(1R,2R,6S,9R,10S,14S)-2,6,11,11,14-pentamethyltetracyclo[7.6.0.0^{1,6}.0^{10,14}]pentadec-3-en-5-one
CAS Registry NumberNot Available
SMILES
[H][C@]12CC[C@]3(C)C(=O)C=C[C@@]([H])(C)[C@]13C[C@]1(C)CCC(C)(C)[C@]21[H]
InChI Identifier
InChI=1S/C20H30O/c1-13-6-7-15(21)19(5)9-8-14-16-17(2,3)10-11-18(16,4)12-20(13,14)19/h6-7,13-14,16H,8-12H2,1-5H3/t13-,14-,16+,18+,19-,20-/m1/s1
InChI KeyVXFNKFSIMARUMG-YHUSEBDRSA-N