Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 01:21:27 UTC
Update Date2022-08-31 06:28:44 UTC
Metabolite IDMMDBc0008529
Metabolite Identification
Common NameFeigrisolide C
DescriptionFeigrisolide C belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Based on a literature review very few articles have been published on Feigrisolide C.
Structure
SynonymsNot Available
Molecular FormulaC21H36O7
Average Mass400.512
Monoisotopic Mass400.246103499
IUPAC Name(1S,2S,5S,8R,9R,12S,14R)-8-hydroxy-5-[(2R)-2-hydroxybutyl]-2,9,12-trimethyl-4,11,17-trioxabicyclo[12.2.1]heptadecane-3,10-dione
Traditional Name(1S,2S,5S,8R,9R,12S,14R)-8-hydroxy-5-[(2R)-2-hydroxybutyl]-2,9,12-trimethyl-4,11,17-trioxabicyclo[12.2.1]heptadecane-3,10-dione
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CC)C[C@]1([H])CC[C@@]([H])(O)[C@@]([H])(C)C(=O)O[C@@]([H])(C)C[C@@]2([H])CC[C@]([H])(O2)[C@]([H])(C)C(=O)O1
InChI Identifier
InChI=1S/C21H36O7/c1-5-15(22)11-17-6-8-18(23)13(3)20(24)26-12(2)10-16-7-9-19(27-16)14(4)21(25)28-17/h12-19,22-23H,5-11H2,1-4H3/t12-,13+,14-,15+,16+,17-,18+,19-/m0/s1
InChI KeyHQBGZNNKSCTNKH-JWFKEXIPSA-N