Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:29:41 UTC
Update Date2022-08-31 06:43:43 UTC
Metabolite IDMMDBc0018277
Metabolite Identification
Common NameRosenonolactone 15,16-acetonide E
DescriptionRosenonolactone 15,16-acetonide E belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Rosenonolactone 15,16-acetonide E is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC23H34O5
Average Mass390.52
Monoisotopic Mass390.240624195
IUPAC Name(1R,2R,5R,7R,10S,11S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0^{1,10}.0^{2,7}]hexadecane-8,16-dione
Traditional Name(1R,2R,5R,7R,10S,11S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0^{1,10}.0^{2,7}]hexadecane-8,16-dione
CAS Registry NumberNot Available
SMILES
[H][C@]1(COC(C)(C)O1)[C@]1(C)CC[C@]2(C)[C@@]([H])(C1)C(=O)C[C@@]1([H])[C@]3(C)CCC[C@]21OC3=O
InChI Identifier
InChI=1S/C23H34O5/c1-19(2)26-13-17(27-19)20(3)9-10-22(5)14(12-20)15(24)11-16-21(4)7-6-8-23(16,22)28-18(21)25/h14,16-17H,6-13H2,1-5H3/t14-,16-,17-,20+,21-,22+,23+/m0/s1
InChI KeyZPFFGPITQXYMAE-AJFOSQHKSA-N