Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:08:50 UTC
Update Date2022-08-31 06:21:39 UTC
Metabolite IDMMDBc0003909
Metabolite Identification
Common NameBerkeleyacetal C
Descriptionberkeleyacetal C belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Based on a literature review very few articles have been published on berkeleyacetal C.
Structure
SynonymsNot Available
Molecular FormulaC24H26O8
Average Mass442.464
Monoisotopic Mass442.162767797
IUPAC Name(1'R,2R,2'S,12'R,14'R,17'R,19'S,21'S)-2',6',6',14',19'-pentamethyl-7',16',18'-trioxaspiro[oxirane-2,11'-pentacyclo[12.6.1.0^{2,12}.0^{5,10}.0^{17,21}]henicosane]-4',9'-diene-3',8',15',20'-tetrone
Traditional Name(1'R,2R,2'S,12'R,14'R,17'R,19'S,21'S)-2',6',6',14',19'-pentamethyl-7',16',18'-trioxaspiro[oxirane-2,11'-pentacyclo[12.6.1.0^{2,12}.0^{5,10}.0^{17,21}]henicosane]-4',9'-diene-3',8',15',20'-tetrone
CAS Registry NumberNot Available
SMILES
[H][C@]12OC(=O)[C@]3(C)C[C@@]4([H])[C@]5(CO5)C5=CC(=O)OC(C)(C)C5=CC(=O)[C@]4(C)[C@]([H])(C(=O)[C@]([H])(C)O1)[C@]23[H]
InChI Identifier
InChI=1S/C24H26O8/c1-10-18(27)16-17-19(30-10)31-20(28)22(17,4)8-13-23(16,5)14(25)6-11-12(24(13)9-29-24)7-15(26)32-21(11,2)3/h6-7,10,13,16-17,19H,8-9H2,1-5H3/t10-,13+,16-,17+,19+,22+,23+,24-/m0/s1
InChI KeyPCBBMDQLBUYDDZ-MBEBNAQTSA-N