Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:12:46 UTC
Update Date2022-08-31 06:26:12 UTC
Metabolite IDMMDBc0006817
Metabolite Identification
Common NameBotcinolide
DescriptionBotcinolide belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Based on a literature review very few articles have been published on Botcinolide.
Structure
SynonymsNot Available
Molecular FormulaC20H34O8
Average Mass402.484
Monoisotopic Mass402.225368055
IUPAC Name(2S,3R,4S,5S,6R,7S,8R)-5,6,7-trihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (2E)-4-hydroxyoct-2-enoate
Traditional Name(2S,3R,4S,5S,6R,7S,8R)-5,6,7-trihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (2E)-4-hydroxyoct-2-enoate
CAS Registry NumberNot Available
SMILES
[H]\C(=C(\[H])C([H])(O)CCCC)C(=O)O[C@@]1([H])[C@]([H])(C)OC(=O)[C@]([H])(C)[C@]([H])(O)[C@](C)(O)[C@@]([H])(O)[C@]1([H])C
InChI Identifier
InChI=1S/C20H34O8/c1-6-7-8-14(21)9-10-15(22)28-16-11(2)17(23)20(5,26)18(24)12(3)19(25)27-13(16)4/h9-14,16-18,21,23-24,26H,6-8H2,1-5H3/b10-9+/t11-,12-,13+,14?,16-,17+,18+,20-/m1/s1
InChI KeyYFWCDPYMHQAWJE-PZLDCHGPSA-N